(2S,10S,11S,15R)-2,7,11,24-Tetrahydroxy-10-[(1E)-3-Hydroxy-3-Methyl-1-Buten-1-Yl]-13-Methyl-9-Oxohexacyclo[14.8.0.0~2,11~.0~3,8~.0~10,15~.0~18,23~]Tetracosa-1(24),3,5,7,13,16,18(23),19,21-Nonaen-17-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C36H38O12
IUPAC Name (2s,10s,11s,15r)-2,7,11,24-tetrahydroxy-10-[(1e)-3-hydroxy-3-methyl-1-buten-1-yl]-13-methyl-9-oxohexacyclo[14.8.0.0 2,11 .0 3,8 .0 10,15 .0 18,23 ]tetracosa-1(24),3,5,7,13,16,18(23),19,21-nonaen-17-yl β-d-glucopyranoside
Molecular Mass 662.680 g·mol−1
Heat of Formation -1912.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 748.9 Å 3
Surface Area 510.45 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey GKPCKVUULUVUKJ-ZIOOKIDSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O