ChemSpider 2D Image | Methyl 2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-(acetoxymethyl)-2,11a-dihydroxy-1b,10b-dimethyl-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopropa[4,5]cycl opropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate | C32H36O9

Methyl 2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-(acetoxymethyl)-2,11a-dihydroxy-1b,10b-dimethyl-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopropa[4,5]cycl opropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate

  • Molecular FormulaC32H36O9
  • Average mass564.623 Da
  • Monoisotopic mass564.235962 Da
  • ChemSpider ID24678837

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-(Acétoxyméthyl)-2,11a-dihydroxy-1b,10b-diméthyl-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadécahydrocyclopropa[4,5]cyclopropa[ 4',5']cyclopenta[1',2':7,8]acéphénanthryléno[10a,10-b]furan-4(1H)-ylidène]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-(acetoxymethyl)-2,11a-dihydroxy-1b,10b-dimethyl-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopropa[4,5]cycl opropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate [ACD/IUPAC Name]
Methyl-2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-(acetoxymethyl)-2,11a-dihydroxy-1b,10b-dimethyl-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopropa[4,5]cycl opropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-yliden]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(1aR,1bS,2R,4bR,8aR,9aR,10aR,10bR,10cS,11aS,11bS)-7-[(acetyloxy)methyl]-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydro-2,11a-dihydroxy-1b,10b-dimethyl-3,6-dioxocyclop ropa[4,5]cyclopropa[4',5']cyclopent[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]-, methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 253.3±26.4 °C
Index of Refraction: 1.651
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.23
ACD/KOC (pH 5.5): 981.72
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.22
ACD/KOC (pH 7.4): 981.68
Polar Surface Area: 136 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

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