(1S,3R,5Z,7E,22E)-24-(2-Hydroxy-2-Methylpropoxy)-9,10-Secochola-5,7,10,22-Tetraene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C28H44O4 |
IUPAC Name | (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r)-5-(2-hydroxy-2-methylpropoxy)pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
Molecular Mass | 444.647 g·mol−1 |
Heat of Formation | -800.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.23 ± 1.08 D |
Volume | 598.66 Å 3 |
Surface Area | 488.66 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | 2.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | UTQJAZIBQHXRAF-YPJMBWJDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |