ChemSpider 2D Image | (5xi,7alpha,12beta,16beta,17xi,23S,25R)-7,12,23-Trihydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-3,11,15,26-tetrone | C30H40O8

(5ξ,7α,12β,16β,17ξ,23S,25R)-7,12,23-Trihydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-3,11,15,26-tetrone

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID116699

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(5ξ,7α,12β,16β,17ξ,23S,25R)-7,12,23-Trihydroxy-26,29-epoxy-16,23-cyclolanost-8-en-3,11,15,26-tetron [German] [ACD/IUPAC Name]
(5ξ,7α,12β,16β,17ξ,23S,25R)-7,12,23-Trihydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-3,11,15,26-tetrone [ACD/IUPAC Name]
(5ξ,7α,12β,16β,17ξ,23S,25R)-7,12,23-Trihydroxy-26,29-époxy-16,23-cyclolanost-8-ène-3,11,15,26-tétrone [French] [ACD/IUPAC Name]
16,23-Cyclolanost-8-ene-3,11,15,26-tetrone, 26,28-epoxy-7,12,23-trihydroxy-, (5ξ,7α,12β,16β,17ξ,23S,25R)- [ACD/Index Name]
138008-04-5 [RN]
16,23-Cyclolanost-8-en-26-oic acid, 7,12,23-trihydroxy-3,11,15-trioxo-, γ-lactone, (7β,12β,16α,23β,25R)-
Ganosporelactone A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 744.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 243.4±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.48
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.38
ACD/KOC (pH 7.4): 198.47
Polar Surface Area: 138 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

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