(1R,2R,4As,6Ar,8S,9R,10As,12As)-9-Acetoxy-8-(β-D-Glucopyranosyloxy)-2,4A,7,7,10A,12A-Hexamethyl-2-[(2R)-3-Methyl-2-Butanyl]-1,2,3,4,4A,5,6,6A,7,8,9,10,10A,11,12,12A-Hexadecahydro-1-Chrysenecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C38H62O10 |
IUPAC Name | (1r,2r,4as,6ar,8s,9r,10as,12as)-9-acetyloxy-2-[(1r)-1,2-di(methyl)propyl]-2,4a,7,7,10a,12a-hexamethyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaid-2-yl]oxy-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylate |
Molecular Mass | 678.893 g·mol−1 |
Heat of Formation | -2212.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.75 ± 1.08 D |
Volume | 831.18 Å 3 |
Surface Area | 589.52 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | 0.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | VAULMUOCCMYLIA-CFKORPOZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |