Estra-1,3,5(10)-Triene-3,16,17-Triol, 17-(2-Propenyl)-, (16α,17Beta)-
Properties
Property | Value |
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Formula | C21H28O3 |
IUPAC Name | (8r,9s,13s,14s,16r,17r)-17-allyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,16,17-triol |
Molecular Mass | 328.445 g·mol−1 |
Heat of Formation | -551.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.54 ± 1.08 D |
Volume | 411.26 Å 3 |
Surface Area | 334.82 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | KIJLZKRIPBDGFS-YQPXSLGVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |