AC1L6J1Q
[(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate
Also Known As: (2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-2,3,4,4a,4b,5,6,6a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate|[(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate|16,24-Cyclo-21-norchola-16,20(22),23-trien-12-one, 3-(acetyloxy)-20-hydroxy-23-methyl-, (3I(2),5I+/-)-
| Molecular Formula | C26H34O4 |
|---|---|
| Molecular Weight | 410.2457 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.2457 |
| Monoisotopic Mass | 410.2457 |
| Heavy Atoms | 30 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 6941-13-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=O)C)OC(=O)C)C |
| InChIKey | WMRIDQKUHHKMSD-QWAJFYDZSA-N |
Product Overview
AC1L6J1Q (CAS 6941-13-5), with molecular formula C26H34O4 and molecular weight 410.2457 g/mol. IUPAC: [(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate.
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