Formylstrospeside
[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
Also Known As: Verodoxin|FORMYLSTROSPESIDE|Strospeside, 16-formate|Gitaloxigenin + digitalose [German]|3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide|(3beta,5beta,16beta)-3-((6-Deoxy-3-O-methyl-D -galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate|[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
| Molecular Formula | C31H46O10 |
|---|---|
| Molecular Weight | 578.3091 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.3091 |
| Monoisotopic Mass | 578.3091 |
| Heavy Atoms | 41 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 6875-10-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O |
| InChIKey | XKWTVJAWBRFKLO-UHFFFAOYSA-N |
Product Overview
Formylstrospeside (CAS 6875-10-1), with molecular formula C31H46O10 and molecular weight 578.3091 g/mol. IUPAC: [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate.
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