(3β,16Alpha,17β)-19-Hydroxy-21-Oxo-16-Vinyl-14,15,19,20-Tetradehydro-18-Oxayohimban-17-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C26H28N2O9
IUPAC Name (3beta,16alpha,17beta)-19-hydroxy-21-oxo-16-vinyl-14,15,19,20-tetradehydro-18-oxayohimban-17-yl β-d-glucopyranoside
Molecular Mass 512.509 g·mol−1
Heat of Formation -1250.5 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 574.07 Å 3
Surface Area 471.11 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • oxayohimban-21-one, 14,15,19,20-tetradehydro-16-ethenyl-17-(beta-d-glucopyranosyloxy)-19-hydroxy-, (3beta,16alpha,17beta)-
CAS Number(s)
  • 121880-11-3
InChIKey YBOINZVFMANTIG-GYXKPNEHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N