Chem
J-GLOBAL ID：200907041211031008   Nikkaji number：J2.655.583C

7β,13-Dihydroxytotarane-8,11,13-triene-19-oic acid

7β,13-ジ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： C20H28O4
Molecular formula furigana： C20-H28-O4
Molecular weight： 332.440
InChI： InChI=1S/C20H28O4/c1-11(2)16-13(21)7-6-12-17(16)14(22)10-15-19(12,3)8-5-9-20(15,4)18(23)24/h6-7,11,14-15,21-22H,5,8-10H2,1-4H3,(H,23,24)/t14-,15+,19+,20-/m0/s1
InChI key： GMSLFNUEEZTQCO-BWMZKYQQSA-N
SMILES： CC(C)c1c(O)ccc2c1[C@@H](O)C[C@H]1[C@](C)(CCC[C@]21C)C(=O)O
Systematic name  (4)：
  • 7β,13-ジヒドロキシトタラン-8,11,13-トリエン-19-酸
  • 1,4aβ-ジメチル-7,9β-ジヒドロキシ-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,9S,10aR)-7,9-ジヒドロキシ-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,9S,10aR)-7,9-dihydroxy-1,4a-dimethyl-8-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Other name (2)：
  • 7β,13-Dihydroxytotarane-8,11,13-triene-19-oic acid
  • 1,4aβ-Dimethyl-7,9β-dihydroxy-8-isopropyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carboxylic acid
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