ChemSpider 2D Image | (9beta)-3,23-Dioxo-28-(sulfooxy)-9,19-cyclolanostan-29-yl acetate | C32H50O8S

(9β)-3,23-Dioxo-28-(sulfooxy)-9,19-cyclolanostan-29-yl acetate

  • Molecular FormulaC32H50O8S
  • Average mass594.800 Da
  • Monoisotopic mass594.322632 Da
  • ChemSpider ID9839073

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(9β)-3,23-Dioxo-28-(sulfooxy)-9,19-cyclolanostan-29-yl acetate [ACD/IUPAC Name]
(9β)-3,23-Dioxo-28-(sulfooxy)-9,19-cyclolanostan-29-yl-acetat [German] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,23-dione, 29-(acetyloxy)-28-(sulfooxy)-, (9β)- [ACD/Index Name]
Acétate de (9β)-3,23-dioxo-28-(sulfooxy)-9,19-cyclolanostan-29-yle [French] [ACD/IUPAC Name]
capisterone A

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 132 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 481.1±5.0 cm3

Click to predict properties on the Chemicalize site


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