(1S,2S,3R,5Z,7E,17α,23R)-23-(2-Hydroxy-2-Methylpropyl)-2-Methyl-20,24-Epoxy-9,10-Secochola-5,7,10-Triene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C29H46O4 |
| IUPAC Name | (1r,2s,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4r)-4-(2-hydroxy-2-methyl-propyl)-2-methyl-tetrahydrofuran-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methyl-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 458.673 g·mol−1 |
| Heat of Formation | -902.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.81 ± 1.08 D |
| Volume | 612.98 Å 3 |
| Surface Area | 476.07 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | -0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CDTXSCLKUNDXBZ-MWPSFRNWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |