Andropanolide

Datasheet MSDS
Catalog Number
ANC01351
Product Name
Andropanolide
Structure
Andropanolide
CAS Number
869807-57-8
IUPAC Name
(3Z,4S)-3-[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]ethylidene]-4-hydroxyoxolan-2-one
Synonyms
Isoandrographolide
Molecular Formula
C20H30O5
Molecular Weight
350.45
Appearance
Powder
Purity
>98%
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C\3/[C@@H](COC3=O)O)(C)CO)O
InChI
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
InChI Key
BOJKULTULYSRAS-QPSYGYIJSA-N
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