3-{(E)-[5-Hydroxy-4-(3-Hydroxy-1-Nonyn-1-Yl)Hexahydro-2H-Cyclopenta[B]Furan-2-Ylidene]Methyl}Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C24H30O5 |
IUPAC Name | 3-[(e)-[(3ar,4s,5r,6as)-5-hydroxy-4-[(3r)-3-hydroxynon-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid |
Molecular Mass | 398.492 g·mol−1 |
Heat of Formation | -746.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.41 ± 1.08 D |
Volume | 503.61 Å 3 |
Surface Area | 443.66 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 2.35 ± eV |
Point Group Symmetry | C1 |
InChIKey | SHLMYINSZJENNN-WNQYSCRFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |