ChemSpider 2D Image | Butyl (3beta,7beta,25R)-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oate | C34H52O7

Butyl (3β,7β,25R)-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oate

  • Molecular FormulaC34H52O7
  • Average mass572.773 Da
  • Monoisotopic mass572.371277 Da
  • ChemSpider ID25054865

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-én-26-oate de butyle [French] [ACD/IUPAC Name]
Butyl (3β,7β,25R)-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oate [ACD/IUPAC Name]
Butyl-(3β,7β,25R)-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7-dihydroxy-11,15,23-trioxo-, butyl ester, (3β,7β,25R)- [ACD/Index Name]
BUTYL GANODERATE B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 210.1±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1598.14
ACD/KOC (pH 5.5): 6835.10
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1598.14
ACD/KOC (pH 7.4): 6835.10
Polar Surface Area: 118 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 494.5±5.0 cm3

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