(2β,3β,5β,9Xi,14Xi)-2,14,20,22-Tetrahydroxy-6-Oxocholest-7-En-3-Yl β-D-Allopyranoside
Properties
Property | Value |
---|---|
Formula | C33H54O11 |
IUPAC Name | (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one |
Molecular Mass | 626.775 g·mol−1 |
Heat of Formation | -2298.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.30 ± 1.08 D |
Volume | 758.51 Å 3 |
Surface Area | 572.34 Å 2 |
HOMO Energy | -9.83 ± 0.55 eV |
LUMO Energy | -0.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | CNAKQRUFJWYXIC-PPOCGGKUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |