17α-(2-Butynyl)-17Beta-Hydroxyestra-4,9,11-Trien-3-One
Properties
Property | Value |
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Formula | C22H26O2 |
IUPAC Name | (8s,13s,14s,17r)-17-but-2-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
Molecular Mass | 322.441 g·mol−1 |
Heat of Formation | -120.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.96 ± 1.08 D |
Volume | 408.17 Å 3 |
Surface Area | 344.24 Å 2 |
HOMO Energy | -8.87 ± 0.55 eV |
LUMO Energy | -0.71 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | AIEAVYYYERHHND-MLNNCEHLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |