ChemSpider 2D Image | Galphimin C | C30H44O7

Galphimin C

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID10189001

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5aS,7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)-7,13a-Dihydroxy-5a-[(1R)-1-hydroxyéthyl]-7b,9a,12,15a-tétraméthyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,11,13a,14,15,15a,15b-hexadécahydrochryséno[2,1-c]oxépine-13b(3 H)-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,10,11,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aS, 7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)- [ACD/Index Name]
Galphimin C
Methyl (5aS,7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,11,13a,14,15,15a,15b-hexadecahydrochryseno[2,1-c]oxepin e-13b(3H)-carboxylate [ACD/IUPAC Name]
Methyl-(5aS,7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,11,13a,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,10,11,13a,14,15,15a,15b-hexadecahydro-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aS,7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)-
galphimine C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463494/
methyl (5aS,7R,7aS,7bR,9aR,13aS,13bS,15aS,15bS)-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5,5a,6,7,7a,7b,8,9,9a,10,11,13a,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: 1.2±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 203.3±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 919.71
ACD/KOC (pH 5.5): 4602.38
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 919.71
ACD/KOC (pH 7.4): 4602.38
Polar Surface Area: 113 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 417.4±3.0 cm3

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