Methyl (1S,4As,7R,7As)-1-(β-D-Glucopyranosyloxy)-4'-[(1S)-1-{[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]Oxy}Ethyl]-5'-Oxo-4A,7A-Dihydro-1H,5'H-Spiro[Cyclopenta[C]Pyran-7,2'-Furan]-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C30H32O14
IUPAC Name methyl (1s,4as,7r,7as)-4'-[(1s)-1-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[4a,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Molecular Mass 616.567 g·mol−1
Heat of Formation -2152.2 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 699.86 Å 3
Surface Area 522.21 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey WBCMGDNFDRNGGZ-DEYYTONKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O