(5Z,7Z)-9,10-Secopregna-5,7,10-Triene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C21H32O2 |
IUPAC Name | (1s,3r,5z)-5-[(2z)-2-[(1r,3ar,7ar)-1-ethyl-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 316.478 g·mol−1 |
Heat of Formation | -445.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.58 ± 1.08 D |
Volume | 430.74 Å 3 |
Surface Area | 351.15 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | 0.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | XMDLIEZJERQGEY-MYTBFJFNSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |