ChemSpider 2D Image | (7bS,9S,9aS,13aS,13bR)-7,9-Dihydroxy-3,6,7b,10,10,13a-hexamethyl-7b,8,9,9a,10,11,12,13,13a,13b-decahydro-1H-benzo[3,4]cyclohepta[1,2-a]naphthalen-1-one | C25H34O3

(7bS,9S,9aS,13aS,13bR)-7,9-Dihydroxy-3,6,7b,10,10,13a-hexamethyl-7b,8,9,9a,10,11,12,13,13a,13b-decahydro-1H-benzo[3,4]cyclohepta[1,2-a]naphthalen-1-one

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID35516665

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7bS,9S,9aS,13aS,13bR)-7,9-Dihydroxy-3,6,7b,10,10,13a-hexaméthyl-7b,8,9,9a,10,11,12,13,13a,13b-décahydro-1H-benzo[3,4]cyclohepta[1,2-a]naphtalén-1-one [French] [ACD/IUPAC Name]
(7bS,9S,9aS,13aS,13bR)-7,9-Dihydroxy-3,6,7b,10,10,13a-hexamethyl-7b,8,9,9a,10,11,12,13,13a,13b-decahydro-1H-benzo[3,4]cyclohepta[1,2-a]naphthalen-1-one [ACD/IUPAC Name]
(7bS,9S,9aS,13aS,13bR)-7,9-Dihydroxy-3,6,7b,10,10,13a-hexamethyl-7b,8,9,9a,10,11,12,13,13a,13b-decahydro-1H-benzo[3,4]cyclohepta[1,2-a]naphthalin-1-on [German] [ACD/IUPAC Name]
1H-Benzo[3,4]cyclohepta[1,2-a]naphthalen-1-one, 7b,8,9,9a,10,11,12,13,13a,13b-decahydro-7,9-dihydroxy-3,6,7b,10,10,13a-hexamethyl-, (7bS,9S,9aS,13aS,13bR)- [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: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 276.7±26.6 °C
Index of Refraction: 1.562
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16843.29
ACD/KOC (pH 5.5): 36885.80
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16794.95
ACD/KOC (pH 7.4): 36779.93
Polar Surface Area: 58 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 345.3±3.0 cm3

Click to predict properties on the Chemicalize site


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