AC1Q5QHN
(5S)-17-hydroxy-5,9-dimethyl-14-oxo-20-propan-2-ylpentacyclo[10.6.2.01,10.04,9.013,18]icosa-15,19-diene-5-carboxylic acid
Also Known As: KST-1A8740|(7s)-4-hydroxy-7,10a-dimethyl-1-oxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-4b,12-ethenochrysene-7-carboxylic acid|4-Hydroxy-7,10a-dimethyl-1-oxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
| Molecular Formula | C26H36O4 |
|---|---|
| Molecular Weight | 412.26135 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.26135 |
| Monoisotopic Mass | 412.26135 |
| Heavy Atoms | 30 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 6969-57-9 |
|---|---|
| SMILES | CC(C)C1=CC23CCC4[C@@](CCCC4(C2CC1C5C3C(C=CC5=O)O)C)(C)C(=O)O |
| InChIKey | NZNTWGCGJLUBCI-NCPYWTRBSA-N |
Product Overview
AC1Q5QHN (CAS 6969-57-9), with molecular formula C26H36O4 and molecular weight 412.26135 g/mol. IUPAC: (5S)-17-hydroxy-5,9-dimethyl-14-oxo-20-propan-2-ylpentacyclo[10.6.2.01,10.04,9.013,18]icosa-15,19-diene-5-carboxylic acid.
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