(1S,3R,5Z,7E,20S,22E,24R)-26,27-Cyclo-9,10-Secocholesta-5,7,10,22-Tetraene-1,3,24-Triol
Properties
| Property | Value |
|---|---|
| Formula | C27H40O3 |
| IUPAC Name | (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 412.605 g·mol−1 |
| Heat of Formation | -518.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.60 ± 1.08 D |
| Volume | 564.84 Å 3 |
| Surface Area | 435.84 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | 0.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LWQQLNNNIPYSNX-VGSRIYHKSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |