3Β-Hydroxypregna-5,7-Diene-20-One
Properties
Property | Value |
---|---|
Formula | C21H30O2 |
IUPAC Name | 1-[(3s,9r,10r,13r,14r,17s)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone |
Molecular Mass | 314.462 g·mol−1 |
Heat of Formation | -453.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.59 ± 1.08 D |
Volume | 408.34 Å 3 |
Surface Area | 324.66 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | 0.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | QTVNPWWLYMFLEI-MLYQTUFZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |