3-[(Z)-{(3Ar,4R,5R,6As)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Hexahydro-2H-Cyclopenta[B]Furan-2-Ylidene}Methyl]Benzoic Acid
Properties
Property | Value |
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Formula | C23H30O5 |
IUPAC Name | 3-[(z)-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid |
Molecular Mass | 386.481 g·mol−1 |
Heat of Formation | -903.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.65 ± 1.08 D |
Volume | 488.39 Å 3 |
Surface Area | 430.3 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -0.45 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | NKUVQKYRQVSLGY-GITAJKPWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |