2-[(1R,3R,7R)-6,8-Dimethyl-10-Oxotricyclo[4.4.0.0~2,7~]Dec-8-En-3-Yl]-2-Propanyl 6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C26H40O11
IUPAC Name 2-[(1r,3r,7r)-6,8-dimethyl-10-oxotricyclo[4.4.0.0 2,7 ]dec-8-en-3-yl]-2-propanyl 6-o-[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-d-glucopyranoside
Molecular Mass 528.589 g·mol−1
Heat of Formation -1997.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 627.53 Å 3
Surface Area 430.8 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey XFLVPLJMLLCEOX-CXFOTWQUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O