(2β,3β,5Xi,18Alpha)-2,3,23-Trihydroxy-29-Methoxy-11,29-Dioxoolean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C31H46O8 |
IUPAC Name | (2r,4ar,6ar,6as,6br,8as,9r,10r,11s,12as,14br)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-4a-carboxylic acid |
Molecular Mass | 546.692 g·mol−1 |
Heat of Formation | -1645.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.64 ± 1.08 D |
Volume | 648.42 Å 3 |
Surface Area | 458.45 Å 2 |
HOMO Energy | -9.60 ± 0.55 eV |
LUMO Energy | 3.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | UDGHUYMQCJZOHS-SALRAJPTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |