Chem
J-GLOBAL ID：200907045799029247   Nikkaji number：J1.809.594G

Perrottetinenic acid

ペロッテチネン酸
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： C25H28O4
Molecular formula furigana： C25-H28-O4
Molecular weight： 392.495
InChI： InChI=1S/C25H28O4/c1-15-9-12-19-18(13-15)22-20(29-25(19,2)3)14-17(21(23(22)26)24(27)28)11-10-16-7-5-4-6-8-16/h4-8,13-14,18-19,26H,9-12H2,1-3H3,(H,27,28)/t18-,19+/m0/s1
InChI key： OWFXHGABDKORFT-RBUKOAKNSA-N
SMILES： CC1=C[C@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCc3ccccc3)c(C(=O)O)c(O)c21
Systematic name  (4)：
  • (6aR)-1-ヒドロキシ-3-フェネチル-6,6,9-トリメチル-6aβ,7,8,10aβ-テトラヒドロ-6H-ジベンゾ[b,d]ピラン-2-カルボン酸
  • 1-ヒドロキシ-6aβ,7,8,10aβ-テトラヒドロ-3-フェネチル-6,6,9-トリメチル-6H-ジベンゾ[b,d]ピラン-2-カルボン酸
  • (6aR,10aS)-1-ヒドロキシ-6,6,9-トリメチル-3-(2-フェニルエチル)-6H,6aH,7H,8H,10aH-ベンゾ[c]イソクロメン-2-カルボン酸
  • (6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-(2-phenylethyl)-6H,6aH,7H,8H,10aH-benzo[c]isochromene-2-carboxylic acid
Other name (4)：
  • (6aR)-1-Hydroxy-3-phenethyl-6,6,9-trimethyl-6aβ,7,8,10aβ-tetrahydro-6H-dibenzo[b,d]pyran-2-carboxylic acid
  • ペロッテチネン酸
  • Perrottetinenic acid
  • 1-Hydroxy-6aβ,7,8,10aβ-tetrahydro-3-phenethyl-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-2-carboxylic acid
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