Chem
J-GLOBAL ID：200907051348863405   Nikkaji number：J457.071E

TEI-9063

TEI-9063
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： C23H38O4
Molecular formula furigana： C23-H38-O4
Molecular weight： 378.553
InChI： InChI=1S/C23H38O4/c1-3-4-7-16(2)12-19(24)10-11-20-21-14-17(8-5-6-9-23(26)27)13-18(21)15-22(20)25/h10-11,13,16,18-22,24-25H,3-9,12,14-15H2,1-2H3,(H,26,27)/b11-10+/t16-,18-,19+,20+,21-,22+/m0/s1
InChI key： BPNIWRLPDMCZPC-GKVFZLKCSA-N
SMILES： CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@H]12
Systematic name  (3)：
  • (3aS)-3,3aβ,4,5,6,6aβ-ヘキサヒドロ-5α-ヒドロキシ-4β-[(1E,3S,5S)-3-ヒドロキシ-5-メチル-1-ノネニル]ペンタレン-2-ペンタン酸
  • 5-[(3aS,5R,6R,6aS)-5-ヒドロキシ-6-[(1E,3S,5S)-3-ヒドロキシ-5-メチルノナ-1-エン-1-イル]-1,3a,4,5,6,6a-ヘキサヒドロペンタレン-2-イル]ペンタン酸
  • 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(1E,3S,5S)-3-hydroxy-5-methylnon-1-en-1-yl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Other name (3)：
  • TEI-9063
  • (3aS)-3,3aβ,4,5,6,6aβ-Hexahydro-5α-hydroxy-4β-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-2-pentalenepentanoic acid
  • (3aS)-3,3aβ,4,5,6,6aβ-Hexahydro-5α-hydroxy-4β-[(1E,3S,5R)-3-hydroxy-5-methyl-1-nonenyl]pentalene-2-pentanoic acid
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