5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-
3-[(3S,5S,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.7 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 34302-25-5 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | VPUNMTHWNSJUOG-XAFPKRIKSA-N |
📖 Product Overview
5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy- (CAS: 34302-25-5) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
VPUNMTHWNSJUOG-XAFPKRIKSA-N.
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O.
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