ChemSpider 2D Image | Galphimin B | C30H44O7

Galphimin B

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID113264

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5aS,7R,7aS,7bR,9aS,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,10,13,13a,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,10,13,13a,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,9aS,13aS,13bS,15aS,15bS)- [ACD/Index Name]
Galphimin B
Methyl (5aS,7R,7aS,7bR,9aS,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,10,13,13a,14,15,15a,15b-hexadecahydrochryseno[2,1-c]oxepin e-13b(3H)-carboxylate [ACD/IUPAC Name]
Methyl-(5aS,7R,7aS,7bR,9aS,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,10,13,13a,14,15,15a,15b-hexadecahydrochryseno[2,1-c]oxepin -13b(3H)-carboxylat [German] [ACD/IUPAC Name]
149199-48-4 [RN]
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-7,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aS-(5aα(S*),7α,7aα,7bβ,9aβ,13aβ,13bα,15aβ,15bα))-
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-7,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aS,7R,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-
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-7,13a-dihydroxy-5a-[(1R)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-, methyl ester, (5aS,7R,7aS,7bR,9aS,13aS,13bS,15aS,15bS)-
D:A-Friedo-A-homo-23,24,30-trinor-4-oxaoleana-1,20-dien-27-oic acid, 7,18-dihydroxy-5-(1-hydroxyethyl)-3-oxo-, methyl ester, (5α(R),7α)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 202.7±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: 3.47
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 816.63
ACD/KOC (pH 5.5): 4226.96
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 816.63
ACD/KOC (pH 7.4): 4226.96
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

Click to predict properties on the Chemicalize site


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