ChemSpider 2D Image | Cucurbalsaminol B | C31H52O4

Cucurbalsaminol B

  • Molecular FormulaC31H52O4
  • Average mass488.742 Da
  • Monoisotopic mass488.386566 Da
  • ChemSpider ID25991420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4S,7S,9β,12β,23E)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-1,12,25-triol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,12β,23E)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,12,25-triol [ACD/IUPAC Name]
(1S,4S,7S,9β,12β,23E)-7-Méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,23-diène-1,12,25-triol [French] [ACD/IUPAC Name]
(3β,7β,9β,10α,12β,23E)-7-methoxy-4,4,9,14-tetramethyl-19-norcholesta-5,23-diene-3,12,23-triol
1189131-55-2 [RN]
7β-Methoxycucurbita-(5,23E)-diene-3β,12β,25-triol
Cucurbalsaminol B [Wiki]
Estr-5-ene-3,12-diol, 17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-7-methoxy-4,4,9,14-tetramethyl-, (3β,7β,9β,10α,12β,17β)- [ACD/Index Name]
(1S,4S,9β,12β,23E)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,12,25-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10399.48
ACD/KOC (pH 5.5): 26119.57
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10399.48
ACD/KOC (pH 7.4): 26119.57
Polar Surface Area: 70 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 451.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement