ChemSpider 2D Image | asporyzin C | C28H39NO2

asporyzin C

  • Molecular FormulaC28H39NO2
  • Average mass421.615 Da
  • Monoisotopic mass421.298065 Da
  • ChemSpider ID26367350

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,4S,4aR,6aS,12bS,12cS)-4-[(2E)-4-Hydroxy-4-methyl-2-penten-1-yl]-4,12b,12c-trimethyl-1,2,3,4,4a,5,6,6a,7,12,12b,12c-dodecahydrobenzo[6,7]indeno[1,2-b]indol-3-ol [German] [ACD/IUPAC Name]
(3S,4S,4aR,6aS,12bS,12cS)-4-[(2E)-4-Hydroxy-4-methyl-2-penten-1-yl]-4,12b,12c-trimethyl-1,2,3,4,4a,5,6,6a,7,12,12b,12c-dodecahydrobenzo[6,7]indeno[1,2-b]indol-3-ol [ACD/IUPAC Name]
(3S,4S,4aR,6aS,12bS,12cS)-4-[(2E)-4-Hydroxy-4-méthyl-2-pentén-1-yl]-4,12b,12c-triméthyl-1,2,3,4,4a,5,6,6a,7,12,12b,12c-dodécahydrobenzo[6,7]indéno[1,2-b]indol-3-ol [French] [ACD/IUPAC Name]
asporyzin C
Benz[6,7]indeno[1,2-b]indol-3-ol, 1,2,3,4,4a,5,6,6a,7,12,12b,12c-dodecahydro-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-yl]-4,12b,12c-trimethyl-, (3S,4S,4aR,6aS,12bS,12cS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25616.95
ACD/KOC (pH 5.5): 49797.65
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25616.97
ACD/KOC (pH 7.4): 49797.71
Polar Surface Area: 56 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 374.6±3.0 cm3

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