ChemSpider 2D Image | Galphimin E | C32H46O9

Galphimin E

  • Molecular FormulaC32H46O9
  • Average mass574.702 Da
  • Monoisotopic mass574.314209 Da
  • ChemSpider ID10188994

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6-Acétoxy-7,13a-dihydroxy-5a-[(1R)-1-hydroxyéthyl]-7b,9a,12,15a-tétraméthyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadécahydrochryséno[2,1-c] oxépine-13b(3H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Chryseno[2,1-c]oxepin-13b(3H)-carboxylic acid, 6-(acetyloxy)-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methy l ester, (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)- [ACD/Index Name]
Galphimin E
Methyl (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6-acetoxy-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydrochryseno [2,1-c]oxepine-13b(3H)-carboxylate [ACD/IUPAC Name]
Methyl-(5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6-acetoxy-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydrochryseno [2,1-c]oxepin-13b(3H)-carboxylat [German] [ACD/IUPAC Name]
chryseno[2,1-c]oxepin-13b(3H)-carboxylic acid, 6-(acetyloxy)-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-
galphimine E
methyl (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6-(acetyloxy)-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydrochryseno[2,1-c]oxepine-13b(3H)-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.16
ACD/KOC (pH 5.5): 3439.06
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 612.16
ACD/KOC (pH 7.4): 3439.06
Polar Surface Area: 140 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 449.6±5.0 cm3

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