(1S,3R,5Z,7E,9Xi,20S)-20-(3-Methylbutoxy)-9,10-Secopregna-5,7,10-Triene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C26H42O3 |
IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-isopentyloxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 402.610 g·mol−1 |
Heat of Formation | -675.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.80 ± 1.08 D |
Volume | 544.37 Å 3 |
Surface Area | 447.24 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | OSURJGQBRKBWMU-PAYAVKHKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |