- 6 of 6 defined stereocentres
(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)CC)CC4 CopyCopied
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 CopyCopied
WWYNJERNGUHSAO-XUDSTZEESA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(17a)-(-)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
(8R,9S,10R,13S,14S,17R)-13-éthyl-17-éthynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one
(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17R)-17-Ethinyl-13-ethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on
13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one
13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one
13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one
13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one
13-β-ETHYL-17-α-ETHYNYL-17-β-HYDROXYGON-4-EN-3-ONE
17a-Ethynyl-13-ethyl-19-nortestosterone
17a-Ethynyl-17-hydroxy-18-methylestr-4-en-3-one
17a-Ethynyl-18-homo-19-nortestosterone
17a-Ethynyl-18-methyl-19-nortestosterone
17b-Hydroxy-18-methyl-19-nor-17a-pregn-4-en-20-yn-3-one
18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17α)-(±)-
18-Methyl-17a-ethynyl-19-nortestosterone
18-METHYLNORETHINDRONE
6533-00-2 [RN]
Levonorgestrel [Wiki]
Levonorgestrel (USP)
Levonorgestrel [USAN:BAN:INN]
Logynon
Malloside
Microgynon
NOG
Norgestrel [USAN:BAN:INN:JAN]
Ovran
Stediril
Tetragynon
Trinordiol
α-Norgestrel
(-)-13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-4-en-20-yn-3-one
(-)-Norgestrel
(−)-Norgestrel
(1S,11S,15S,2R,10R,14R)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-5-one
(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
121714-72-5 [RN]
13-Ehyl-17α-ethynyl-17-hydroxygon-4-en-3-one
13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-4-en-20-yn-3-one
13-Ethyl-17-α-ethynyl-17-β-hydroxy-4-gonen-3-one
13-Ethyl-17α-ethynylgon-4-en-17β-ol-3-one
13-Ethyl-17-α-ethynylgon-4-en-17-β-ol-3-one
13β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one
13-β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one
17489-40-6 [RN]
17-Ethynyl-18-methyl-19-nortestosterone
17-α-Ethinyl-13-β-ethyl-17-β-hydroxy-4-estren-3-one
17α-Ethynyl-13-ethyl-19-nortestosterone
17-α-Ethynyl-13-ethyl-19-nortestosterone
17α-Ethynyl-13β-ethyl-3-oxo-4-estren-17β-ol
17α-Ethynyl-17-hydroxy-18-methylestr-4-en-3-one
17α-ethynyl-17β-hydroxy-18a-homoestr-4-en-3-one
17α-Ethynyl-18-homo-19-nor-testosterone
17α-ETHYNYL-18-HOMO-19-NORTESTOSTERONE
17-β-Hydroxy-18-methyl-19-nor-17-α-pregn-4-en-20-yn-3-one
18,19-Dinor-13β-ethyl-17β-hydroxy-4-pregnen-20-yn-3-one
18,19-Dinor-17-α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-
18,19-Dinor-17-α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (±)-
18,19-Dinor-4-pregnen-20-yn-3-one
18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17α)-(-)-
18-Methyl-17-α-ethynyl-19-nortestosterone
18-Methylnorethisterone
19-Nortestosterone, 17-ethynyl-18-methyl-
212-349-8 [EINECS]
229-433-5 [EINECS]
337376-15-5
4222-79-1 [RN]
6067808 [Beilstein]
797-62-6 [RN]
797-63-7 [RN]
Alesse [Wiki]
Capronor
Cerazet
D Norgestrel
d(-)-Norgestrel
D(−)-Norgestrel
D-(-)-Norgestrel
D016912
D-NORGESTREL
duofem
E-Gen-C
FH 122-A
Follistrel
Jadelle [Wiki]
l Norgestrel
Levlen [Wiki]
Levlen ED
Levonelle
Levonelle, D-Norgestrel, Levonova
Levonogestrel
levonorgestrelum [Latin]
Levonorgestrelum [INN-Latin]
Levonova
Levora-21
Levora-28
L-Norgestrel
LO/Ovral
Logynon ED
Methylnorethindrone
Microgest ED
Microgyn
Microgynon 21
Microgynon 28
Microgynon 30 ED
Microgynon CD
Microlut
Microlution
Microluton
Microval
Minivlar 30
Mirena [Wiki]
Monofeme 28
Monovar [Wiki]
Neogest
Neogynon 21
Nordet
Nordette [Wiki]
Nordette 21
Nordette 28
Norgeston
Norgestrel [Wiki]
Norgestrel (JP15/USP)
Norgestrel-(-)-D
norgestrelum [Latin]
Norgestrelum [INN-Latin]
NorLevo
Norplant [Wiki]
Norplant 2
NORPLANT II
Norplant II (TN)
Norplant2
Norplant-2
Ovoplex 30-150
Ovral [Wiki]
Ovral-Lo
Ovranette
OVRETTE [Wiki]
Ovrette (TN)
Plan B
Postinor
Preven
Rigevidon 21+7
Stediril 30
Triagynon
Triciclor
Trifeme 28
Trigoa
Tri-Levlen
Tri-Levlen 21
Trinordiol 21
Trinordiol 28
Triphasil
Triphasil 21
Triphasil 28
Triquilar ED
Trivora
Vikela
WY 5104 [DBID]
284858_ALDRICH [DBID]
BRN 2391114 [DBID]
C08149 [DBID]
C08153 [DBID]
CCRIS 6525 [DBID]
D00950 [DBID]
D00954 [DBID]
HSDB 3595 [DBID]
HSDB 6483 [DBID]
MLS000069491 [DBID]
N2260_SIGMA [DBID]
Prestwick_109 [DBID]
Prestwick0_000773 [DBID]
Prestwick1_000773 [DBID]
SH 70850 [DBID]
SH 850 [DBID]
SMR000059117 [DBID]
SPBio_002785 [DBID]
WY 3707 [DBID]
Wy-5104 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.88 (Adapted Stein & Brown method) Melting Pt (deg C): 168.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-009 (Modified Grain method) MP (exp database): 206 deg C Subcooled liquid VP: 8.28E-008 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 35.84 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.991 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Propargyl Alc-hindered Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.70E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.147E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: -7.502 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.982 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2378 Biowin2 (Non-Linear Model) : 0.0048 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0620 (months ) Biowin4 (Primary Survey Model) : 3.0678 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2992 Biowin6 (MITI Non-Linear Model): 0.0469 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1537 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.1E-005 Pa (8.28E-008 mm Hg) Log Koa (Koawin est ): 10.982 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.272 Octanol/air (Koa) model: 0.0236 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.908 Mackay model : 0.956 Octanol/air (Koa) model: 0.653 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.5600 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.130 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.396749 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.718 Hrs Fraction sorbed to airborne particulates (phi): 0.932 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5353 Log Koc: 3.729 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.979 (BCF = 95.38) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 7.7E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.344E+006 hours (5.6E+004 days) Half-Life from Model Lake : 1.466E+007 hours (6.109E+005 days) Removal In Wastewater Treatment: Total removal: 12.58 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.40 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0293 1.41 1000 Water 13 1.44e+003 1000 Soil 85.9 2.88e+003 1000 Sediment 1.06 1.3e+004 0 Persistence Time: 1.83e+003 hr
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