(3β,7β,17Alpha)-Pregn-5-En-20-Yne-3,7,17-Triol
Properties
Property | Value |
---|---|
Formula | C21H30O3 |
IUPAC Name | (3s,7r,8r,9s,10r,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol |
Molecular Mass | 330.461 g·mol−1 |
Heat of Formation | -460.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.52 ± 1.08 D |
Volume | 418.56 Å 3 |
Surface Area | 330.53 Å 2 |
HOMO Energy | -9.67 ± 0.55 eV |
LUMO Energy | 0.77 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | JJKOQZHWYLMASZ-FJWDNACWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |