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| CAS No.: | 134418-28-3 |
| Molecular Formula | C₂₀H₂₈O₄ |
| Molecular Weight | 332.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: (3E)-3-[2-[(1S,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]furan-2-one
InChI: InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1
InChIKey: YIIRVUDGRKEWBV-CZUXAOBFSA-N
Canonical SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)CO)O
Isomeric SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@@H]2C/C=C/3C=COC3=O)(C)CO)O
Synonyms: Dehydroandrographolide; 134418-28-3; 010E4IV714; 14,15-Anhydroandrographolide, (1S)-; 2(3H)-Furanone, 3-(2-((1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-, (3E)-; UNII-010E4IV714; (3E)-3-[2-[(1S,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]furan-2-one; DTXSID301314463; …
Botanical Source: Andrographis Herba
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