ChemSpider 2D Image | (1S,3S,11aR,13S,15aS,15bS)-3,13-Dihydroxy-1-isopropenyl-4,4,6,6,12,12,15a,15b-octamethyl-3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadecahydro-4H-benzo[6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclope nta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-one | C38H51NO4

(1S,3S,11aR,13S,15aS,15bS)-3,13-Dihydroxy-1-isopropenyl-4,4,6,6,12,12,15a,15b-octamethyl-3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadecahydro-4H-benzo[6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclope nta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-one

  • Molecular FormulaC38H51NO4
  • Average mass585.816 Da
  • Monoisotopic mass585.381836 Da
  • ChemSpider ID8342767

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(1S,3S,11aR,13S,15aS,15bS)-3,13-Dihydroxy-1-isopropenyl-4,4,6,6,12,12,15a,15b-octamethyl-3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadecahydro-4H-benzo[6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclope nta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-on [German] [ACD/IUPAC Name]
(1S,3S,11aR,13S,15aS,15bS)-3,13-Dihydroxy-1-isopropenyl-4,4,6,6,12,12,15a,15b-octamethyl-3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadecahydro-4H-benzo[6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclope nta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-one [ACD/IUPAC Name]
(1S,3S,11aR,13S,15aS,15bS)-3,13-Dihydroxy-1-isopropényl-4,4,6,6,12,12,15a,15b-octaméthyl-3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadécahydro-4H-benzo[6,7]indéno[1,2-b]pyrano[3',4':4,5]cyclope nta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-one [French] [ACD/IUPAC Name]
4H-Benz[6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2(1H)-one, 3,3a,6,7,7a,9,9a,10,11,11a,12,13,14,15,15a,15b-hexadecahydro-3,13-dihydroxy-4,4,6,6,12,12,15a,15b-octamethy l-1-(1-methylethenyl)-, (1S,3S,11aR,13S,15aS,15bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 166.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 613602.44
ACD/KOC (pH 5.5): 483660.13
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 613601.81
ACD/KOC (pH 7.4): 483659.59
Polar Surface Area: 72 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 442.4±7.0 cm3

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