$96.00
| CAS No.: | 26575-93-9 |
| Molecular Formula | C₃₂H₄₈O₆ |
| Molecular Weight | 528.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
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IUPAC Name: [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
InChI: InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey: KOOCQNIPRJEMDH-QSKXMHMESA-N
Canonical SMILES: CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O
Isomeric SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2=O)C)C)(C)C)C)O
Synonyms: Alisol C monoacetate; Alisol C 23-acetate; 26575-93-9; 23-O-Acetylalisol C; Alisol C 23-monoacetate; Alisol C (23-acetate); TF3DV2XK24; CHEMBL4441811; …
Botanical Source: Alisma orientale(Sam.) Juzep.
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