(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R,3S,5R)-3-Butyl-5-Hydroxy-6-Methyl-2-Heptanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol
Properties
Property | Value |
---|---|
Formula | C31H52O3 |
IUPAC Name | (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 472.743 g·mol−1 |
Heat of Formation | -823.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.53 ± 1.08 D |
Volume | 660.64 Å 3 |
Surface Area | 520.15 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | 3.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | CJFXAKUNOBKWSJ-ZUNQKOJFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |