(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,7,12-Trihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methylpentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H46O5 |
| IUPAC Name | (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid |
| Molecular Mass | 450.651 g·mol−1 |
| Heat of Formation | -1319.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.99 ± 1.08 D |
| Volume | 581.79 Å 3 |
| Surface Area | 435.66 Å 2 |
| HOMO Energy | -9.92 ± 0.55 eV |
| LUMO Energy | 0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NPBCMXATLRCCLF-IRRLEISYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |