12S-Hydroxyandrographolide

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Catalog Number ACM869593500
CAS 869593-50-0
IUPAC Name (4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one
Molecular Weight 368.47
Molecular Formula C20H32O6
Canonical SMILES CC12CCC(C(C1CCC(=C)C2CC(C3C(COC3=O)O)O)(C)CO)O
Inchi InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17?,19+,20+/m1/s1
InChIKey NLYQWYLWLQBMPF-BRQCOXQQSA-N
Purity 98%
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