(1S,2R,4As,6Ar,8R,9R,10As,12As)-9-Acetoxy-8-(β-D-Glucopyranosyloxy)-2,4A,7,7,10A,12A-Hexamethyl-2-[(2R)-3-Methyl-2-Butanyl]-3-Oxo-1,2,3,4,4A,5,6,6A,7,8,9,10,10A,11,12,12A-Hexadecahydro-1-Chrysenecarboxylic Acid

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Formula C38H30O11
IUPAC Name (1s,2r,4as,6ar,8r,9r,10as,12as)-9-acetoxy-8-(beta-d-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2r)-3-methyl-2-butanyl]-3-oxo-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-1-chrysenecarboxylic acid
Molecular Mass 662.638 g·mol−1
Heat of Formation 3591.2 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 682.11 Å 3
Surface Area 524.9 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -2.48 ± eV
Point Group Symmetry C1
InChIKey FBAPXRMZLULGNA-TZKOPFNXSA-N
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