(3α,4α,8α,9Beta,13α,14Beta,16Beta,17Z)-3-Hydroxy-4,14-Dimethyl-11-Oxo-16-(Propionyloxy)-18-Norcholesta-17,24-Dien-21-Oic Acid
Properties
Property | Value |
---|---|
Formula | C31H46O6 |
IUPAC Name | (2e)-2-[(10s,14r)-3-hydroxy-4,10,14-trimethyl-11-oxo-16-propanoyloxy-2,3,4,5,6,7,8,9,12,13,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid |
Molecular Mass | 514.693 g·mol−1 |
Heat of Formation | 3293.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.29 ± 1.08 D |
Volume | 511.63 Å 3 |
Surface Area | 431.05 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | -2.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | ISLLRJYHCSQDTN-YHMPOWQISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |