ChemSpider 2D Image | sporulenol | C35H58O

sporulenol

  • Molecular FormulaC35H58O
  • Average mass494.834 Da
  • Monoisotopic mass494.448761 Da
  • ChemSpider ID28533153

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-Hexamethyl-1-[(3R)-3-(4-methyl-1,4-cyclohexadien-1-yl)butyl]octadecahydro-2-chrysenol [German] [ACD/IUPAC Name]
(1R,2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-Hexamethyl-1-[(3R)-3-(4-methyl-1,4-cyclohexadien-1-yl)butyl]octadecahydro-2-chrysenol [ACD/IUPAC Name]
(1R,2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-Hexaméthyl-1-[(3R)-3-(4-méthyl-1,4-cyclohexadién-1-yl)butyl]octadécahydro-2-chrysénol [French] [ACD/IUPAC Name]
2-Chrysenol, octadecahydro-2,4b,7,7,10a,12a-hexamethyl-1-[(3R)-3-(4-methyl-1,4-cyclohexadien-1-yl)butyl]-, (1R,2R,4aS,4bR,6aS,10aS,10bR,12aS)- [ACD/Index Name]
sporulenol
(2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[(3R)-3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]octadecahydrochrysen-2-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 554.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 247.1±13.7 °C
Index of Refraction: 1.513
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 13.09
ACD/LogD (pH 5.5): 11.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 514.1±3.0 cm3

Click to predict properties on the Chemicalize site


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