ChemSpider 2D Image | penicimeroterpenoid B | C27H36O8

penicimeroterpenoid B

  • Molecular FormulaC27H36O8
  • Average mass488.570 Da
  • Monoisotopic mass488.241028 Da
  • ChemSpider ID90298197

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,6α,8α,9β,10α,13α,14β,15S)-3-Acétoxy-15-hydroxy-8,12,15-triméthyl-16,20-dioxo-6,20-époxy-14,16-cyclopimar-11-ène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
2aH-4,8a-(Epoxymethano)cyclobuta[a]phenanthrene-2a-carboxylic acid, 6-(acetyloxy)-1,2,2b,3,4,4a,5,6,7,8,8b,10a-dodecahydro-1-hydroxy-1,2b,5,5,10,10a-hexamethyl-2,11-dioxo-, methyl ester, (1S,2aR,2bS,4 S,4aR,6S,8aR,8bR,10aR)- [ACD/Index Name]
Methyl (3β,5β,6α,8α,9β,10α,13α,14β,15S)-3-acetoxy-15-hydroxy-8,12,15-trimethyl-16,20-dioxo-6,20-epoxy-14,16-cyclopimar-11-ene-14-carboxylate [ACD/IUPAC Name]
Methyl-(3β,5β,6α,8α,9β,10α,13α,14β,15S)-3-acetoxy-15-hydroxy-8,12,15-trimethyl-16,20-dioxo-6,20-epoxy-14,16-cyclopimar-11-en-14-carboxylat [German] [ACD/IUPAC Name]
penicimeroterpenoid B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 194.4±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.32
ACD/KOC (pH 5.5): 908.47
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.32
ACD/KOC (pH 7.4): 908.43
Polar Surface Area: 116 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 377.7±5.0 cm3

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