ChemSpider 2D Image | (3beta,5xi,7alpha,12beta,16beta,17xi,23S,25R)-3,7,12,23-Tetrahydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-11,15,26-trione | C30H42O8

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

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID116700

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(3β,5ξ,7α,12β,16β,17ξ,23S,25R)-3,7,12,23-Tetrahydroxy-26,29-epoxy-16,23-cyclolanost-8-en-11,15,26-trion [German] [ACD/IUPAC Name]
(3β,5ξ,7α,12β,16β,17ξ,23S,25R)-3,7,12,23-Tetrahydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-11,15,26-trione [ACD/IUPAC Name]
(3β,5ξ,7α,12β,16β,17ξ,23S,25R)-3,7,12,23-Tétrahydroxy-26,29-époxy-16,23-cyclolanost-8-ène-11,15,26-trione [French] [ACD/IUPAC Name]
16,23-Cyclolanost-8-ene-11,15,26-trione, 26,28-epoxy-3,7,12,23-tetrahydroxy-, (3β,5ξ,7α,12β,16β,17ξ,23S,25R)- [ACD/Index Name]
138008-05-6 [RN]
16,23-Cyclolanost-8-en-26-oic acid, 3,7,12,23-tetrahydroxy-11,15-dioxo-, γ-lactone, (3β,7β,12β,16α,23β,25R)-
Ganosporelactone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 241.2±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.11
ACD/KOC (pH 5.5): 195.01
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 195.01
Polar Surface Area: 141 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 392.0±5.0 cm3

Click to predict properties on the Chemicalize site


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