ChemSpider 2D Image | (3beta,5alpha,15alpha,22E)-3,9,15-Trihydroxystigmasta-8(14),22-dien-7-one | C29H46O4

(3β,5α,15α,22E)-3,9,15-Trihydroxystigmasta-8(14),22-dien-7-one

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID78441266

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,15α,22E)-3,9,15-Trihydroxystigmasta-8(14),22-dien-7-on [German] [ACD/IUPAC Name]
(3β,5α,15α,22E)-3,9,15-Trihydroxystigmasta-8(14),22-dien-7-one [ACD/IUPAC Name]
(3β,5α,15α,22E)-3,9,15-Trihydroxystigmasta-8(14),22-dién-7-one [French] [ACD/IUPAC Name]
Stigmasta-8(14),22-dien-7-one, 3,9,15-trihydroxy-, (3β,5α,15α,22E)- [ACD/Index Name]
Leiwansterol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 330.5±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3070.24
ACD/KOC (pH 5.5): 10907.19
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3070.23
ACD/KOC (pH 7.4): 10907.16
Polar Surface Area: 78 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 408.6±5.0 cm3

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