DTXSID20861034
3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
| Molecular Formula | C23H36O7 |
|---|---|
| Molecular Weight | 424.5 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 124.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.2461 |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 753414-90-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O |
| InChIKey | TUZYXOIXSAXUGO-UHFFFAOYSA-N |
📖 Product Overview
DTXSID20861034 (CAS: 753414-90-3) is a chemical compound with molecular formula C23H36O7 and molecular weight 424.5 g/mol. Its IUPAC systematic name is 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid.
TUZYXOIXSAXUGO-UHFFFAOYSA-N.
SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O.
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