3-[(4,6-Dideoxyhexopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxobufa-20,22-Dienolide
Properties
Property | Value |
---|---|
Formula | C30H42O9 |
IUPAC Name | (3s,5s,8r,9s,10s,13r,14s,17r)-3-[(2r,3s,4s,6r)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde |
Molecular Mass | 546.649 g·mol−1 |
Heat of Formation | -1737.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.47 ± 1.08 D |
Volume | 636.1 Å 3 |
Surface Area | 471.05 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -0.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZQKJLHNHJIEPBK-ZNDDOCHDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |