(5E)-5-[(3As,4R,5R,6As)-5-Hydroxy-4-[(1E,3S,4R)-3-Hydroxy-4-Methyl-1-Octen-6-Yn-1-Yl]Hexahydro-2(1H)-Pentalenylidene]Pentanoic Acid
Properties
Property | Value |
---|---|
Formula | C22H32O4 |
IUPAC Name | (5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(e,3s,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 | -670.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.52 ± 1.08 D |
Volume | 485.16 Å 3 |
Surface Area | 413.57 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | 0.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | HIFJCPQKFCZDDL-GBSCXWAGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |