(6S)-6-(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methylbenzyl)-3,5-Dihydroxy-4,6-Dimethyl-2-(2-Methylbutanoyl)-2,4-Cyclohexadien-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H34O8
IUPAC Name (6s)-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-[(2r)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
Molecular Mass 474.543 g·mol−1
Heat of Formation -1466.7 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 572.62 Å 3
Surface Area 427.19 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey NQGCBDWQKDAGTK-MZHQLVBMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O