(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,7-Trihydroxy-2-Heptanyl]Hexadecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol
Properties
Property | Value |
---|---|
Formula | C26H46O6 |
IUPAC Name | (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r,5s)-4,5,6-trihydroxy-1-methyl-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol |
Molecular Mass | 454.640 g·mol−1 |
Heat of Formation | -1448.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.62 ± 1.08 D |
Volume | 577.84 Å 3 |
Surface Area | 447.07 Å 2 |
HOMO Energy | -10.08 ± 0.55 eV |
LUMO Energy | 4.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | PYLPANOYZCSFOX-UHWRNXLSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |