2-α,3-Beta,12-Beta-Trihydroxypregna-4,7,16-Trien-20-One
Properties
Property | Value |
---|---|
Formula | C21H28O4 |
IUPAC Name | 1-[(2r,3r,9s,10r,12r,13s,14s)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone |
Molecular Mass | 344.445 g·mol−1 |
Heat of Formation | -677.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.52 ± 1.08 D |
Volume | 418.09 Å 3 |
Surface Area | 328.19 Å 2 |
HOMO Energy | -9.71 ± 0.55 eV |
LUMO Energy | 0.18 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | IWQKGRNFKYKJHS-KQFCJCSDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |