(1S,3R,5Z,7E,20S)-1,3-Dihydroxy-24-(1-Piperidinyl)-9,10-Secochola-5,7,10-Trien-24-One
Properties
| Property | Value |
|---|---|
| Formula | C29H45NO3 |
| IUPAC Name | (4s)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-(1-piperidyl)pentan-1-one |
| Molecular Mass | 455.673 g·mol−1 |
| Heat of Formation | -683.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.56 ± 1.08 D |
| Volume | 606.03 Å 3 |
| Surface Area | 480.53 Å 2 |
| HOMO Energy | -8.59 ± 0.55 eV |
| LUMO Energy | 3.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXWZPQRKPXFQGC-QCUPEZPBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |