Chem
J-GLOBAL ID：200907045359320616   Nikkaji number：J2.460.071H

2-Oxo-13-hydroxytotarane-8,11,13-triene-19-oic acid

2-オキソ-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： C20H26O4
Molecular formula furigana： C20-H26-O4
Molecular weight： 330.424
InChI： InChI=1S/C20H26O4/c1-11(2)17-13-5-8-16-19(3,14(13)6-7-15(17)22)9-12(21)10-20(16,4)18(23)24/h6-7,11,16,22H,5,8-10H2,1-4H3,(H,23,24)/t16-,19-,20+/m1/s1
InChI key： FIIHHPSSDWHEQS-AHRSYUTCSA-N
SMILES： CC(C)c1c(O)ccc2c1CC[C@H]1[C@](C)(CC(=O)C[C@]21C)C(=O)O
Systematic name  (5)：
  • 2-オキソ-13-ヒドロキシトタラ-8(14),9(11),12-トリエン-19-酸
  • 2-オキソ-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-3-オキソ-7-ヒドロキシ-8-イソプロピル-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,10aR)-7-ヒドロキシ-1,4a-ジメチル-3-オキソ-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,10aR)-7-hydroxy-1,4a-dimethyl-3-oxo-8-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Other name (3)：
  • 2-Oxo-13-hydroxytotara-8(14),9(11),12-triene-19-oic acid
  • 2-Oxo-13-hydroxytotarane-8,11,13-triene-19-oic acid
  • 1,4aβ-Dimethyl-3-oxo-7-hydroxy-8-isopropyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carboxylic acid
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