Try beta.chemspider
- 8 of 8 defined stereocentres
(3beta,13alpha,14beta,17alpha,20S)-Lanosta-5,24-dien-3-ol
O[C@H]4CC[C@]3(/C(=C\C[C@@H]1[C@@H]3CC[C@]2([C@@H](CC[C@]12C)[C@@H](C)CC\C=C(/C)C)C)C4(C)C)C
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,13,21-24,26,31H,9,11-12,14-19H2,1-8H3/t21-,22-,23-,24+,26-,28+,29-,30+/m0/s1
JPIRLIZZOSSGHC-FPLOEHELSA-N
CSID:8940245, http://www.chemspider.com/Chemical-Structure.8940245.html (accessed 22:48, Jun 15, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 9.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.37 (Adapted Stein & Brown method) Melting Pt (deg C): 189.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.08E-011 (Modified Grain method) Subcooled liquid VP: 3.18E-009 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): 2.034e-005 log Kow used: 9.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00047553 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.06E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.678E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.98 (KowWin est) Log Kaw used: -1.780 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.760 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0326 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5676 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7478 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1259 Biowin6 (MITI Non-Linear Model): 0.0062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9479 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): 4.24E-007 Pa (3.18E-009 mm Hg) Log Koa (Koawin est ): 11.760 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.08 Octanol/air (Koa) model: 0.141 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 0.919 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 209.1255 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.614 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec Half-Life = 0.026 Days (at 7E11 mol/cm3) Half-Life = 37.389 Min Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.601E+006 Log Koc: 6.748 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 = 0.730 (BCF = 5.374) log Kow used: 9.98 (estimated) Volatilization from Water: Henry LC: 0.000406 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.087 hours Half-Life from Model Lake : 228.7 hours (9.529 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00182 0.413 1000 Water 0.748 4.32e+003 1000 Soil 39.5 8.64e+003 1000 Sediment 59.8 3.89e+004 0 Persistence Time: 1.07e+004 hr
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