(1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5,11-Dihydroxy-13-(Hydroxymethyl)-9,16-Dimethyl-8-(2-Oxo-2H-Pyran-5-Yl)-15,17,20-Trioxahexacyclo[14.3.1.1~14,18~.0~1,13~.0~4,12~.0~5,9~]Henicosan-10-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H33O9+
IUPAC Name (1s,4r,5s,8r,9r,12s,13r,14r,16r,18s)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(2-oxo-2h-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.1 14,18 .0 1,13 .0 4,12 .0 5,9 ]henicosan-10-one
Molecular Mass 489.535 g·mol−1
Heat of Formation -1611.6 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 530.99 Å 3
Surface Area 393.07 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey GWAJSVNDQHKYPG-XOGNUPMYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O