Methyl (3β,5Xi,9Xi,14Xi,18Xi,20Xi)-3,22-Dihydroxyurs-12-En-30-Oate
Properties
| Property | Value |
|---|---|
| Formula | C31H50O4 |
| IUPAC Name | methyl (1r,2r,4s,4ar,6ar,6as,6br,8as,10s,12ar,14br)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-2-carboxylate |
| Molecular Mass | 486.726 g·mol−1 |
| Heat of Formation | -971.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.58 ± 1.08 D |
| Volume | 615.02 Å 3 |
| Surface Area | 439.03 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | 0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PQBJUPQYHXRZJY-BHDAUKIBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |