(1S,3R,5Z,7E,9Xi,17β)-17-[(4-Hydroxy-4-Methylpentyl)Oxy]-9,10-Secoandrosta-5,7,10-Triene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C25H40O4 |
| IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1s,3as,7as)-1-(4-hydroxy-4-methyl-pentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 404.583 g·mol−1 |
| Heat of Formation | -844.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.67 ± 1.08 D |
| Volume | 538.45 Å 3 |
| Surface Area | 442.47 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | 0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AOMQZQQKWZZTNV-MEHRKURPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |