ChemSpider 2D Image | Dimethyl (2aR,4R,4aS,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-5-(benzyloxy)-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-3-oxooctahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate | C32H38O12

Dimethyl (2aR,4R,4aS,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-5-(benzyloxy)-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-3-oxooctahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate

  • Molecular FormulaC32H38O12
  • Average mass614.637 Da
  • Monoisotopic mass614.236328 Da
  • ChemSpider ID26603167

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2aR,4R,4aS,5S,7aS,8S,10R,10aS,10bR)-10-Acétoxy-5-(benzyloxy)-4-méthyl-8-{[(2E)-2-méthyl-2-butenoyl]oxy}-3-oxooctahydro-1H-furo[3',4':4,4a]naphto[1,8-bc]furane-5,10a(8H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H,7H-Naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-5-(phenylmethoxy)-, dimethyl ester, (2aR,4R,4aS,5S,7 aS,8S,10R,10aS,10bR)- [ACD/Index Name]
Dimethyl (2aR,4R,4aS,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-5-(benzyloxy)-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-3-oxooctahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2aR,4R,4aS,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-5-(benzyloxy)-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-3-oxooctahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylat [German] [ACD/IUPAC 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: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 285.8±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1923.99
ACD/KOC (pH 5.5): 7806.03
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1923.99
ACD/KOC (pH 7.4): 7806.03
Polar Surface Area: 150 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 461.8±5.0 cm3

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