(12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-Oxolanosta-7,9(11),24-Trien-26-Oic Acid
Properties
Property | Value |
---|---|
Formula | C36H54O9 |
IUPAC Name | (z,6r)-2-methyl-6-[(5r,10s,12r,13r,14s,17r)-4,4,10,13,14-pentamethyl-3-oxo-12-[(2s,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaid-2-yl]oxy-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoate |
Molecular Mass | 630.809 g·mol−1 |
Heat of Formation | -1784.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.23 ± 1.08 D |
Volume | 791.96 Å 3 |
Surface Area | 557.9 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | PNDYOWJOYGHQBU-ZRWQLAOJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |