$50.00
| CAS No.: | 18296-44-1 |
| Molecular Formula | C₂₂H₃₀O₈ |
| Molecular Weight | 422.5g/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-methylbutanoate
InChI: InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey: BDIAUFOIMFAIPU-KVJIRVJXSA-N
Canonical SMILES: CC(C)CC(=O)OC1C=C2C(C13CO3)C(OC=C2COC(=O)C)OC(=O)CC(C)C
Isomeric SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
Synonyms: Valtrate; Valepotriate; 18296-44-1; Valtratum; Valtrato; Valtrats; Halazuchrome B; Valtrate [INN]; …
Botanical Source: Valeriana officinalis L.
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