ChemSpider 2D Image | Galphimin A | C30H44O8

Galphimin A

  • Molecular FormulaC30H44O8
  • Average mass532.666 Da
  • Monoisotopic mass532.303589 Da
  • ChemSpider ID10188995

  • 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)-6,7,13a-Trihydroxy-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, 5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-6,7,13a-trihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5 aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)- [ACD/Index Name]
Galphimin A
Methyl (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6,7,13a-trihydroxy-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)-6,7,13a-trihydroxy-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, 5,5a,6,7,7a,7b,8,9,9a,10,13,13a,14,15,15a,15b-hexadecahydro-6,7,13a-trihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-
galphimine A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL522335/
methyl (5aR,6R,7S,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-6,7,13a-trihydroxy-5a-(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: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 208.0±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.56
ACD/KOC (pH 5.5): 1793.66
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.56
ACD/KOC (pH 7.4): 1793.66
Polar Surface Area: 134 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

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