(3α,5α,17α)-Pregn-20-Yne-3,17-Diol
Properties
Property | Value |
---|---|
Formula | C21H32O2 |
IUPAC Name | (3r,5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular Mass | 316.478 g·mol−1 |
Heat of Formation | -371.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.79 ± 1.08 D |
Volume | 368.93 Å 3 |
Surface Area | 280.61 Å 2 |
HOMO Energy | -10.05 ± 0.55 eV |
LUMO Energy | 1.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | CKAXZOYFIHQCBN-JRRMKBMNSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |