(2β,3β)-2,23-Dihydroxy-30-Methoxy-30-Oxo-3-(β-D-Xylopyranosyloxy)Olean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C36H56O11 |
IUPAC Name | (2s,4ar,6ar,6as,6br,8ar,9r,10r,11s,12ar,14bs)-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Molecular Mass | 664.823 g·mol−1 |
Heat of Formation | -2287.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.33 ± 1.08 D |
Volume | 785.08 Å 3 |
Surface Area | 548.98 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | 1.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | SFZVDNKTWPZIJG-JLUHPNADSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |