(3α,4α,5α,12α,25R)-3,12-Dihydroxy-4-Methyl-7,11-Dioxoergosta-8,24(28)-Dien-26-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H42O6 |
| IUPAC Name | (2r,6r)-6-[(3r,4s,5s,10s,12r,13r,14r,17r)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylene-heptanoic acid |
| Molecular Mass | 486.640 g·mol−1 |
| Heat of Formation | -1216.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.86 ± 1.08 D |
| Volume | 607.81 Å 3 |
| Surface Area | 469.13 Å 2 |
| HOMO Energy | -9.76 ± 0.55 eV |
| LUMO Energy | 1.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LVFHKUZOQUATIE-AJVWHGDVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |