- 5 of 5 defined stereocentres
(4aS,4bR,10aR,10bS,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione
O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4CC[C@@]3(OC(=O)CC[C@@H]23)C)C CopyCopied
InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1 CopyCopied
BPEWUONYVDABNZ-DZBHQSCQSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(4aS,4bR,10aR,10bS,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromen-2,8(4bH)-dion
(4aS,4bR,10aR,10bS,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione [ACD/IUPAC Name]
(4aS,4bR,10aR,10bS,12aS)-10a,12a-diméthyl-3,4,4a,5,6,10a,10b,11,12,12a-décahydro-2H-naphto[2,1-f]chromène-2,8(4bH)-dione
1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic Acid d-Lactone
13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic Acid d-Lactone
17a-Oxo-D-homo-1,4-androstadiene-3,17-dione
213-534-6 [EINECS]
2H-phenanthro[2,1-b]pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, (4aS,4bR,10aR,10bS,12aS)-
D1-testololactone
Testolactone [USP]
δ1-Testololactone
Teslak
1, 2-Didehydrotestololactone
1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid δ-lactone
1,2-Dehydrotestololactone
1,2-didehydrotestololactone
13, 17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone
13, 17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, δ-lactone
13,17-Secoandrosta-1, 4-dien-17-oic acid, 13α-hydroxy-3-oxo-, δ-lactone
13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone
13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, δ-lactone
13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, δ-lactone (8CI)
13-Hydroxy-3-oxo-13,17-secoandrosta-1, 4-dien-17-oic acid δ-lactone
13-hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid δ-lactone
17a-Oxa-D-homoandrosta-1,4-diene-3,17-dione
17α-Oxo-D-homo-1,4-androstadiene-3,17-dione
1-dehydrotestololactone
2H-Phenanthro[2, 1-b]pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12, 12a-decahydro-10a,12a-dimethyl-, lactone
36921 [Beilstein]
3-oxo-13,17-secoandrosta-1,4-dieno-17,13α-lactone
968-93-4 [RN]
D-homo-17a-oxaandrosta-1,4-diene-3,17-dione
Fludestrin
SQ-9538
Teolit
Teslac
TESLAC (TN)
Testolacton
Testolactona [Spanish] [INN]
Testolactone [USAN:INN] [INN] [USAN]
Testolactonum [Latin]
Testolattone [DCIT]
Testololactone, 1,2-didehydro-
Testololactone, 1-dehydro-
δ(1)-Dehydrotestolactone
δ(1)-testololactone
δ1-Dehydrotestolactone
δ1-Dehydrotestololactone
δ-1-testololactone
C02197 [DBID]
CHEBI:9460 [DBID]
D00153 [DBID]
HSDB 3255 [DBID]
NCI60_001908 [DBID]
NSC 12173 [DBID]
NSC 23759 [DBID]
NSC-12173 [DBID]
NSC23759 [DBID]
SQ 9538 [DBID]
ZINC04081771 [DBID]
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) = 2.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 425.17 (Adapted Stein & Brown method) Melting Pt (deg C): 158.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.73E-008 (Modified Grain method) MP (exp database): 218.5 deg C Subcooled liquid VP: 2.02E-006 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): 199.2 log Kow used: 2.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.25 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.11E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.433E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.09 (KowWin est) Log Kaw used: -5.602 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.692 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4177 Biowin2 (Non-Linear Model) : 0.2541 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2288 (months ) Biowin4 (Primary Survey Model) : 3.3142 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5902 Biowin6 (MITI Non-Linear Model): 0.2862 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0339 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): 0.000269 Pa (2.02E-006 mm Hg) Log Koa (Koawin est ): 7.692 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0111 Octanol/air (Koa) model: 1.21E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.287 Mackay model : 0.471 Octanol/air (Koa) model: 0.000965 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.0170 E-12 cm3/molecule-sec Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.139 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.312500 E-17 cm3/molecule-sec Half-Life = 0.873 Days (at 7E11 mol/cm3) Half-Life = 20.955 Hrs Fraction sorbed to airborne particulates (phi): 0.379 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4060 Log Koc: 3.609 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 = 0.912 (BCF = 8.161) log Kow used: 2.09 (estimated) Volatilization from Water: Henry LC: 6.11E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.661E+004 hours (692.1 days) Half-Life from Model Lake : 1.813E+005 hours (7556 days) Removal In Wastewater Treatment: Total removal: 2.34 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.24 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 0.12 3.55 1000 Water 26.9 1.44e+003 1000 Soil 72.9 2.88e+003 1000 Sediment 0.119 1.3e+004 0 Persistence Time: 1.22e+003 hr
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