(2β,3β,5β,9Xi,20E)-2,3,14,25-Tetrahydroxycholesta-7,20(22)-Dien-6-One
Properties
| Property | Value |
|---|---|
| Formula | C27H42O5 |
| IUPAC Name | (2s,3r,5r,9r,10r,13r,14s,17r)-2,3,14-trihydroxy-17-[(e)-5-hydroxy-1,5-dimethyl-hex-1-enyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one |
| Molecular Mass | 446.619 g·mol−1 |
| Heat of Formation | -1091.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.48 ± 1.08 D |
| Volume | 572.98 Å 3 |
| Surface Area | 443.34 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | -0.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CMIUBJTVLMVMSY-ARXHBIMOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |