(3β,22S,23R)-3,22,23-Trihydroxy-26,29-Epoxystigmasta-5,24(28)-Diene-7,29-Dione
Properties
| Property | Value |
|---|---|
| Formula | C29H42O6 |
| IUPAC Name | (3s)-4-[(1r,2s,3s)-1,2-dihydroxy-3-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyl-2,3-dihydropyran-6-one |
| Molecular Mass | 486.640 g·mol−1 |
| Heat of Formation | -1176.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.14 ± 1.08 D |
| Volume | 598.19 Å 3 |
| Surface Area | 448.99 Å 2 |
| HOMO Energy | -9.90 ± 0.55 eV |
| LUMO Energy | 2.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WHYZWKJWWNQRQQ-BJNSZYDNSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |