3-{(E)-[5-Hydroxy-4-(3-Hydroxy-1-Nonyn-1-Yl)Hexahydro-2H-Cyclopenta[B]Furan-2-Ylidene]Methyl}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O