(1R,3R,7E,17β)-17-[(2R)-5-Ethyl-5-Hydroxy-2-Heptanyl]-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C28H46O3 |
IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-4-ethyl-4-hydroxy-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol |
Molecular Mass | 430.663 g·mol−1 |
Heat of Formation | -737.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.87 ± 1.08 D |
Volume | 590.51 Å 3 |
Surface Area | 480.84 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | 3.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | CCJKDZZJQKPBID-IHLVXOQFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |