ChemSpider 2D Image | (5aS,10bR)-5a,10b-Dimethyl-2-[(1R,4aS,10aS)-1,4a,8,8,10a-pentamethyldodecahydro-1H-benzo[b]cyclopenta[f]oxepin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-decahydrocyclopenta[a]fluorene-6,9-dione | C36H52O3

(5aS,10bR)-5a,10b-Dimethyl-2-[(1R,4aS,10aS)-1,4a,8,8,10a-pentamethyldodecahydro-1H-benzo[b]cyclopenta[f]oxepin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-decahydrocyclopenta[a]fluorene-6,9-dione

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID400702

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(5aS,10bR)-5a,10b-Dimethyl-2-[(1R,4aS,10aS)-1,4a,8,8,10a-pentamethyldodecahydro-1H-benzo[b]cyclopenta[f]oxepin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-decahydrocyclopenta[a]fluoren-6,9-dion [German] [ACD/IUPAC Name]
(5aS,10bR)-5a,10b-Dimethyl-2-[(1R,4aS,10aS)-1,4a,8,8,10a-pentamethyldodecahydro-1H-benzo[b]cyclopenta[f]oxepin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-decahydrocyclopenta[a]fluorene-6,9-dione [ACD/IUPAC Name]
(5aS,10bR)-5a,10b-Diméthyl-2-[(1R,4aS,10aS)-1,4a,8,8,10a-pentaméthyldodécahydro-1H-benzo[b]cyclopenta[f]oxépin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-décahydrocyclopenta[a]fluorène-6,9-dione [French] [ACD/IUPAC Name]
Cyclopenta[a]fluorene-6,9-dione, 2-[(1R,4aS,10aS)-dodecahydro-1,4a,8,8,10a-pentamethyl-1H-benzo[b]cyclopent[f]oxepin-1-yl]-1,2,3,3a,4,5,5a,10,10a,10b-decahydro-5a,10b-dimethyl-, (5aS,10bR)- [ACD/Index Name]

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

AIDS005540 [DBID]
AIDS-005540 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.7±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 243.6±27.1 °C
Index of Refraction: 1.568
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 10.49
ACD/LogD (pH 5.5): 9.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5875455.50
ACD/LogD (pH 7.4): 9.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5875455.50
Polar Surface Area: 43 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

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