(2β,3β,5β,22R,23R,24S,25S)-2,3,14,20,22-Pentahydroxy-23,26-Epoxyergost-7-En-6-One
Properties
| Property | Value |
|---|---|
| Formula | C28H44O7 |
| IUPAC Name | (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r)-2-[(2r,3s,4s)-3,4-dimethyltetrahydrofuran-2-yl]-1,2-dihydroxy-1-methyl-ethyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one |
| Molecular Mass | 492.645 g·mol−1 |
| Heat of Formation | -1491.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.77 ± 1.08 D |
| Volume | 599.73 Å 3 |
| Surface Area | 442.03 Å 2 |
| HOMO Energy | -9.65 ± 0.55 eV |
| LUMO Energy | 2.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HHPPCGSBRMCORM-QTSUHJLRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |