ChemSpider 2D Image | (3beta,5xi,24R)-3,25-Dihydroxy-21,24-epoxylanosta-7,9(11)-dien-21-one | C30H46O4

(3β,5ξ,24R)-3,25-Dihydroxy-21,24-epoxylanosta-7,9(11)-dien-21-one

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID78436575

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5ξ,24R)-3,25-Dihydroxy-21,24-epoxylanosta-7,9(11)-dien-21-on [German] [ACD/IUPAC Name]
(3β,5ξ,24R)-3,25-Dihydroxy-21,24-epoxylanosta-7,9(11)-dien-21-one [ACD/IUPAC Name]
(3β,5ξ,24R)-3,25-Dihydroxy-21,24-époxylanosta-7,9(11)-dién-21-one [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-one, 21,24-epoxy-3,25-dihydroxy-, (3β,5ξ,24R)- [ACD/Index Name]
Inonotsulide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 195.1±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7601.75
ACD/KOC (pH 5.5): 20871.26
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7601.75
ACD/KOC (pH 7.4): 20871.26
Polar Surface Area: 67 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 414.3±5.0 cm3

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