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
(24Z)-24-Ethyl-5α-cholesta-7,24(28)-dien-3β-ol
(24Z)-5α-Stigmasta-7,24(28)-dien-3β-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I0WYR6393O [DBID]
UNII:I0WYR6393O [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    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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