Found 1 result

Search term: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1C[C@@H]2[C@]3([C@@]1(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(CCC(=O)C5)C)C)O2 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | gymnasterone B | C28H40O3

gymnasterone B

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID23076736
  • 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

(5β,14β,15β,22E)-14,15-Epoxyergosta-7,22-dien-3,6-dion [German] [ACD/IUPAC Name]
(5β,14β,15β,22E)-14,15-Epoxyergosta-7,22-diene-3,6-dione [ACD/IUPAC Name]
(5β,14β,15β,22E)-14,15-Époxyergosta-7,22-diène-3,6-dione [French] [ACD/IUPAC Name]
Ergosta-7,22-diene-3,6-dione, 14,15-epoxy-, (5β,14β,15β,22E)- [ACD/Index Name]
gymnasterone B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 231.6±30.2 °C
Index of Refraction: 1.552
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2739.53
ACD/KOC (pH 5.5): 10052.72
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2739.53
ACD/KOC (pH 7.4): 10052.72
Polar Surface Area: 47 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 384.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement