(5Z)-5-{5-Hydroxy-4-[(1E)-3-Hydroxy-4-Methyl-1-Octen-6-Yn-1-Yl]Hexahydro-2(1H)-Pentalenylidene}Pentanoic Acid
Properties
Property | Value |
---|---|
Formula | C22H32O4 |
IUPAC Name | (5z)-5-[(3ar,4r,5r,6ar)-5-hydroxy-4-[(e,3r,4r)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid |
Molecular Mass | 360.487 g·mol−1 |
Heat of Formation | -662.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.30 ± 1.08 D |
Volume | 482.31 Å 3 |
Surface Area | 425.69 Å 2 |
HOMO Energy | -9.52 ± 0.55 eV |
LUMO Energy | 0.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | HIFJCPQKFCZDDL-DOUITLMCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |