$85.00
| CAS No.: | 25161-41-5 |
| Molecular Formula | C₂₄H₃₂O₁₀ |
| Molecular Weight | 480.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
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IUPAC Name: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2′-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
InChI: InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChIKey: FWKBQAVMKVZEOT-STCFVSJZSA-N
Canonical SMILES: CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C
Isomeric SMILES: CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C
Synonyms: Acevaltrate; 25161-41-5; Acevaltratum; Acevaltrate [INN]; Acetoxyvaltrate; Acetovaltrate; (Acetyloxy)valepotriate; Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,2’R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-6-yl ester; …
Botanical Source: Valeriana officinalis L.
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