(3β,5Alpha,6Alpha,20R)-Pregn-9(11)-Ene-3,6,20-Triol
Properties
Property | Value |
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Formula | C21H34O3 |
IUPAC Name | (3s,5s,6s,8s,10s,13s,14s,17s)-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol |
Molecular Mass | 334.493 g·mol−1 |
Heat of Formation | -761.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.62 ± 1.08 D |
Volume | 433.79 Å 3 |
Surface Area | 341.31 Å 2 |
HOMO Energy | -9.38 ± 0.55 eV |
LUMO Energy | 1.15 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | XCGDFVUIBHDDNK-JMGMBTOPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |