ChemSpider 2D Image | (3beta,5alpha,10xi,13xi,22E)-Stigmasta-7,22-dien-3-ol | C29H48O

(3β,5α,10ξ,13ξ,22E)-Stigmasta-7,22-dien-3-ol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID58817276
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres


More details:






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

(3β,5α,10ξ,13ξ,22E)-Stigmasta-7,22-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α,10ξ,13ξ,22E)-Stigmasta-7,22-dien-3-ol [ACD/IUPAC Name]
(3β,5α,10ξ,13ξ,22E)-Stigmasta-7,22-dién-3-ol [French] [ACD/IUPAC Name]
Stigmasta-7,22-dien-3-ol, (3β,5α,10ξ,13ξ,22E)- [ACD/Index Name]
481-18-5 [RN]
a-Spinasterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 219.1±20.7 °C
Index of Refraction: 1.531
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.13
ACD/LogD (pH 5.5): 8.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1394569.50
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1394569.50
Polar Surface Area: 20 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 417.6±5.0 cm3

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