(1S,3R,5Z,7E,9Xi,20R)-20-[(5-Hydroxy-5-Methylhexyl)Oxy]-9,10-Secopregna-5,7,10-Triene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C28H46O4 |
IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1s,3as,7as)-1-[(1r)-1-(5-hydroxy-5-methyl-hexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 446.662 g·mol−1 |
Heat of Formation | -897.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.18 ± 1.08 D |
Volume | 604.66 Å 3 |
Surface Area | 503.4 Å 2 |
HOMO Energy | -8.31 ± 0.55 eV |
LUMO Energy | 0.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | MEJNJVYTSDEKIO-HZUHCLFRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |