ChemSpider 2D Image | avenasterol | C29H48O

avenasterol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID24850097

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5α,24Z)-Stigmasta-7,24(28)-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α,24Z)-Stigmasta-7,24(28)-dien-3-ol [ACD/IUPAC Name]
(3β,5α,24Z)-Stigmasta-7,24(28)-dién-3-ol [French] [ACD/IUPAC Name]
23290-26-8 [RN]
7212-91-1 [RN]
avenasterol
Stigmasta-7,24(28)-dien-3-ol, (3β,5α,24Z)- [ACD/Index Name]
(1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-9-en-5-ol
(1R,3aR,5aS,7S,9aS,9bR,11aR)-9a,11a-dimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
(24Z)-24-Ethyl-5α-cholesta-7,24(28)-dien-3β-ol
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I0WYR6393O [DBID]
UNII:I0WYR6393O [DBID]
  • Miscellaneous

    • Chemical Class:

      A stigmastane sterol that is 5alpha-stigmastane carrying a hydroxy group at position 3beta and double bonds at positions 7 and 24. ChEBI CHEBI:166888

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 503.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 219.9±22.1 °C
Index of Refraction: 1.531
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.33
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1376367.25
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1376367.25
Polar Surface Area: 20 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

Click to predict properties on the Chemicalize site


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