Chem
J-GLOBAL ID：200907073508503331   Nikkaji number：J1.900.594A

Isoandrographolide

イソアンドログラホリド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H30O5
Molecular formula furigana： C20-H30-O5
Molecular weight： 350.455
InChI： InChI=1S/C20H30O5/c1-18-7-5-16(22)19(2,11-21)14(18)4-8-20(3)15(18)10-13(25-20)12-6-9-24-17(12)23/h6,13-16,21-22H,4-5,7-11H2,1-3H3/t13?,14-,15-,16+,18+,19-,20+/m0/s1
InChI key： QTYVPMSAPQBXMM-BXTHMLGCSA-N
SMILES： C[C@@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1CC(O2)C1=CCOC1=O
Systematic name  (3)：
  • 3-[[(3aR,5aS,6R,7R,9aR,9bS)-ドデカヒドロ-7-ヒドロキシ-6-(ヒドロキシメチル)-3a,6,9a-トリメチルナフト[2,1-b]フラン]-2-イル]フラン-2(5H)-オン
  • 3-[(3aR,5aS,6R,7R,9aR,9bS)-7-ヒドロキシ-6-(ヒドロキシメチル)-3a,6,9a-トリメチル-ドデカヒドロナフト[2,1-b]フラン-2-イル]-2,5-ジヒドロフラン-2-オン
  • 3-[(3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-dodecahydronaphtho[2,1-b]furan-2-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • 3-[[(3aR,5aS,6R,7R,9aR,9bS)-Dodecahydro-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethylnaphtho[2,1-b]furan]-2-yl]furan-2(5H)-one
  • Isoandrographolide
  • イソアンドログラホリド
CAS registry number： 4176-96-9
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