ChemSpider 2D Image | Asperterpenol A | C25H42O

Asperterpenol A

  • Molecular FormulaC25H42O
  • Average mass358.600 Da
  • Monoisotopic mass358.323578 Da
  • ChemSpider ID28548236

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2aS,6aS,6bS,9Z,12S,12aS,13R,13aS)-2a,5,5,9,12,13a-Hexaméthyl-2,2a,3,4,5,6,6a,6b,7,8,10,11,12,12a,13,13a-hexadécahydro-1H-cyclopenta[4,5]cycloocta[1,2-a]naphtalén-13-ol [French] [ACD/IUPAC Name]
(2aS,6aS,6bS,9Z,12S,12aS,13R,13aS)-2a,5,5,9,12,13a-Hexamethyl-2,2a,3,4,5,6,6a,6b,7,8,10,11,12,12a,13,13a-hexadecahydro-1H-cyclopenta[4,5]cycloocta[1,2-a]naphthalen-13-ol [ACD/IUPAC Name]
(2aS,6aS,6bS,9Z,12S,12aS,13R,13aS)-2a,5,5,9,12,13a-Hexamethyl-2,2a,3,4,5,6,6a,6b,7,8,10,11,12,12a,13,13a-hexadecahydro-1H-cyclopenta[4,5]cycloocta[1,2-a]naphthalin-13-ol [German] [ACD/IUPAC Name]
1H-Cyclopenta[4,5]cycloocta[1,2-a]naphthalen-13-ol, 2,2a,3,4,5,6,6a,6b,7,8,10,11,12,12a,13,13a-hexadecahydro-2a,5,5,9,12,13a-hexamethyl-, (2aS,6aS,6bS,9Z,12S,12aS,13R,13aS)- [ACD/Index Name]
Asperterpenol A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 194.1±12.4 °C
Index of Refraction: 1.529
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 959785.94
ACD/LogD (pH 7.4): 8.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 959785.94
Polar Surface Area: 20 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 358.1±5.0 cm3

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