(3β,4β,5β)-3-Hydroxypregn-20-En-4-Yl 2-O-Acetyl-6-Deoxy-3-O-Methyl-Alpha-L-Galactopyranoside
Properties
Property | Value |
---|---|
Formula | C30H48O7 |
IUPAC Name | [(2s,3s,4r,5r,6s)-5-hydroxy-2-[[(3s,4r,5s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-4-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate |
Molecular Mass | 520.698 g·mol−1 |
Heat of Formation | -1476.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.70 ± 1.08 D |
Volume | 652.93 Å 3 |
Surface Area | 481.95 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | 0.77 ± eV |
Point Group Symmetry | C1 |
InChIKey | GKECJXKITDFENW-IPYAJTQTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |