Ethyl (3α,5Beta,7Beta,22R,23R)-3,7-Dihydroxy-22,24-Cyclocholane-23-Carboxylate
Properties
Property | Value |
---|---|
Formula | C27H44O4 |
IUPAC Name | ethyl (1r,2r)-2-[(1r)-1-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarboxylate |
Molecular Mass | 432.636 g·mol−1 |
Heat of Formation | -965.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.58 ± 1.08 D |
Volume | 561.25 Å 3 |
Surface Area | 418.71 Å 2 |
HOMO Energy | -9.96 ± 0.55 eV |
LUMO Energy | 1.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | AIOMSMGXCLHTAM-NJKSIKMVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |