Chem
J-GLOBAL ID：200907046463923345   Nikkaji number：J2.552.739I

7α-Methoxy-13-hydroxytotarane-8,11,13-triene-19-oic acid

7α-メトキシ-13-ヒドロキシトタラン-8,11,13-トリエン-19-酸
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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-12(2)17-14(22)8-7-13-18(17)15(25-5)11-16-20(13,3)9-6-10-21(16,4)19(23)24/h7-8,12,15-16,22H,6,9-11H2,1-5H3,(H,23,24)/t15-,16-,20-,21+/m1/s1
InChI key： NZLPMABGNQUXBT-NBJYBMASSA-N
SMILES： CO[C@@H]1C[C@H]2[C@](C)(CCC[C@]2(C)c2ccc(O)c(C(C)C)c12)C(=O)O
Systematic name  (5)：
  • 1,2,3,4,4a,9,10,10aα-オクタヒドロ-7-ヒドロキシ-8-イソプロピル-9α-メトキシ-1,4aβ-ジメチルフェナントレン-1β-カルボン酸
  • 7α-メトキシ-13-ヒドロキシトタラン-8,11,13-トリエン-19-酸
  • 1,4aβ-ジメチル-7-ヒドロキシ-8-イソプロピル-9α-メトキシ-1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-1β-カルボン酸
  • (1S,4aS,9R,10aR)-7-ヒドロキシ-9-メトキシ-1,4a-ジメチル-8-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボン酸
  • (1S,4aS,9R,10aR)-7-hydroxy-9-methoxy-1,4a-dimethyl-8-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Other name (3)：
  • 1,2,3,4,4a,9,10,10aα-Octahydro-7-hydroxy-8-isopropyl-9α-methoxy-1,4aβ-dimethylphenanthrene-1β-carboxylic acid
  • 7α-Methoxy-13-hydroxytotarane-8,11,13-triene-19-oic acid
  • 1,4aβ-Dimethyl-7-hydroxy-8-isopropyl-9α-methoxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carboxylic acid
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