6-(2-Hydroperoxy-2-Propanyl)-3,9-Dihydroxy-11-Methoxy-10-[(1E)-3-Methyl-1-Buten-1-Yl]-6,7-Dihydro-8H-Chromeno[3,2-D][1]Benzoxepin-8-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H28O8
IUPAC Name (6r)-6-(1-hydroperoxy-1-methyl-ethyl)-3,9-dihydroxy-11-methoxy-10-[(e)-3-methylbut-1-enyl]-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
Molecular Mass 468.496 g·mol−1
Heat of Formation -981.1 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 540.08 Å 3
Surface Area 454.14 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey UYYZSBJGWJNBMX-HSTAZWAASA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O