(5β,8Xi,9Xi,16β)-16-Acetoxy-5-(β-D-Glycero-Hexopyranosyloxy)-14-Hydroxy-19-Oxobufa-3,20,22-Trienolide
Properties
Property | Value |
---|---|
Formula | C32H42O12 |
IUPAC Name | [(5s,8s,9r,10s,13r,14s,16s,17r)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-16-yl] acetate |
Molecular Mass | 618.669 g·mol−1 |
Heat of Formation | -2054.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.37 ± 1.08 D |
Volume | 702.37 Å 3 |
Surface Area | 518.71 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | -0.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | DDAAWSFCUWNNES-AWJABXAYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |