(3α,5Beta,6α)-3,6-Dihydroxy-6-Methylcholan-24-Oic Acid
Properties
Property | Value |
---|---|
Formula | C25H42O4 |
IUPAC Name | (4r)-4-[(3s,5s,6r,8s,9s,10r,13r,14s,17r)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
Molecular Mass | 406.599 g·mol−1 |
Heat of Formation | -1107.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.80 ± 1.08 D |
Volume | 531.0 Å 3 |
Surface Area | 407.14 Å 2 |
HOMO Energy | -10.02 ± 0.55 eV |
LUMO Energy | 0.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | WAUIOEWDALWOPQ-OMXYXSBXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |