ChemSpider 2D Image | (3beta,7alpha,12beta)-3,7-Dihydroxygorgost-5-en-12-yl acetate | C32H52O4

(3β,7α,12β)-3,7-Dihydroxygorgost-5-en-12-yl acetate

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID552824

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,7α,12β)-3,7-Dihydroxygorgost-5-en-12-yl acetate [ACD/IUPAC Name]
(3β,7α,12β)-3,7-Dihydroxygorgost-5-en-12-yl-acetat [German] [ACD/IUPAC Name]
22,24-Cyclochol-5-ene-3,7,12-triol, 23-[(1R)-1,2-dimethylpropyl]-23-methyl-, 12-acetate, (3β,7α,12β,22R,23R)- [ACD/Index Name]
Acétate de (3β,7α,12β)-3,7-dihydroxygorgost-5-én-12-yle [French] [ACD/IUPAC Name]
androst-5-ene-3,7,12-triol, 17-[(1R)-1-[(1R,2R)-2-[(1R)-1,2-dimethylpropyl]-2-methylcyclopropyl]ethyl]-, 12-acetate, (3β,7α,12β,17β)-
12β-acetoxy-7α-hydroxygorgosterol
Acetic acid 17-{1-[2-(1,2-dimethyl-propyl)-2-methyl-cyclopropyl]-ethyl}-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454512/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 176.0±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148504.33
ACD/KOC (pH 5.5): 175189.42
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148504.33
ACD/KOC (pH 7.4): 175189.42
Polar Surface Area: 67 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement