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Andrographolide
SpectraBase Compound ID LHxw1CCw6M1
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-
InChIKey BOJKULTULYSRAS-ACAGNQJTSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fTKVp36jaJ
Name Andrographolide
Alternate Name(s) (3Z)-3-[2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-oxidanyl-oxolan-2-one (3Z)-4-hydroxy-3-[2-(6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl)ethylidene]tetrahydrofuran-2-one (3Z)-4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-2-oxolanone (3Z)-4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one (3Z)-4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one 2(3H)-furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(e(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))- 2(3H)-furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)- 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy- 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one Andrographis EINECS 226-852-5 NSC 383468
CAS Registry Number 5508-58-7
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Formula C20H30O5
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-
InChIKey BOJKULTULYSRAS-ACAGNQJTSA-N
Molecular Weight 350.455 g/mol
SMILES OCC1(C2C(CCC1O)(C(C(CC2)=C)C\C=C/1C(OCC1O)=O)C)C
SPLASH splash10-052f-9700000000-904c3fb937321cfc6d59
Wiley ID 1442856