14-Deoxy-12-Hydroxyandrographolide

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Catalog Number ACM219721332
CAS 219721-33-2
IUPAC Name 4-[(1S)-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]-2H-furan-5-one
Synonyms 12-Hydroxy-14-deoxyandrographolide
Molecular Weight 350.45
Molecular Formula C20H30O5
Canonical SMILES C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C[C@@H](C3=CCOC3=O)O)(C)CO)O
Inchi InChI=1S/C20H30O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19+,20+/m1/s1
InChIKey KHQNSSJNIXVKMK-XWIHJEQYSA-N
Purity 98%
Appearance Solid

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