$290.00
| CAS No.: | 51771-49-4 |
| Molecular Formula | C₂₂H₃₁ClO₈ |
| Molecular Weight | 458.9g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
| Weight |
|---|
IUPAC Name: [(1S,6S,7S,7aS)-4-(acetyloxymethyl)-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylbutanoate
InChI: InChI=1S/C22H31ClO8/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey: HHVCVAIASNFMBE-KVJIRVJXSA-N
Canonical SMILES: CC(C)CC(=O)OC1C=C2C(C1(CCl)O)C(OC=C2COC(=O)C)OC(=O)CC(C)C
Isomeric SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@]1(CCl)O)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
Synonyms: Valechlorine; 51771-49-4; [(1S,6S,7S,7aS)-4-(acetyloxymethyl)-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylbutanoate; SCHEMBL26561954; DTXSID101101121; HY-N4120; AKOS037514498; FS-7075; …
Botanical Source: Valeriana officinalis L.
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