Chem
J-GLOBAL ID：200907090271569326   Nikkaji number：J1.212.832K

15R-TIC

15R-TIC
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： C24H32O4
Molecular formula furigana： C24-H32-O4
Molecular weight： 384.516
InChI： InChI=1S/C24H32O4/c1-16-5-4-7-17(11-16)13-20(25)9-10-21-22-14-18(6-2-3-8-24(27)28)12-19(22)15-23(21)26/h4-5,7,9-12,19-23,25-26H,2-3,6,8,13-15H2,1H3,(H,27,28)/t19-,20-,21+,22-,23+/m0/s1
InChI key： WECZQLFTKNIXDD-USWKJHDZSA-N
SMILES： Cc1cccc(C[C@@H](O)C=C[C@H]2[C@H](O)C[C@@H]3C=C(CCCCC(=O)O)C[C@H]23)c1
Systematic name  (3)：
  • (3aS)-3,3aβ,4,5,6,6aβ-ヘキサヒドロ-4β-[(3R)-3-ヒドロキシ-4-(3-メチルフェニル)-1-ブテニル]-5α-ヒドロキシペンタレン-2-ペンタン酸
  • 5-[(3aS,5R,6R,6aS)-5-ヒドロキシ-6-[(3R)-3-ヒドロキシ-4-(3-メチルフェニル)ブタ-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-[(3R)-3-hydroxy-4-(3-methylphenyl)but-1-en-1-yl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Other name (4)：
  • (3aS)-3,3aβ,4,5,6,6aβ-Hexahydro-4β-[(3R)-3-hydroxy-4-(3-methylphenyl)-1-butenyl]-5α-hydroxypentalene-2-pentanoic acid
  • 15R-TIC
  • (15R)-16-m-トリルイソカルバサイクリン
  • (15R)-16-m-tolylisocarbacyclin
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