Chem
J-GLOBAL ID：200907070201118750   Nikkaji number：J1.774.939K

(1R)-1β-[(1E,3R)-3-Hydroxy-4-(3-methylphenyl)(3-3H)-1-butenyl]-2α-hydroxy-5-(4-carboxybutyl)-1,2,3,3aβ,6,6aβ-hexahydropentalene

(1R)-1β-[(1E,3R)-3-ヒドロキシ-4-(3-メチルフェニル)(3-3H)-1-ブテニル]-2α-ヒドロキシ-5-(4-カルボキシブチル)-1,2,3,3aβ,6,6aβ-ヘキサヒドロペンタレン
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： C24H31[3H]O4
Molecular formula furigana： C24-H32-O4
Molecular weight： 386.524
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)/b10-9+/t19-,20-,21+,22-,23+/m0/s1/i20T
InChI key： WECZQLFTKNIXDD-YGKPEZHXSA-N
SMILES： [C@@]([3H])(O)(Cc1cccc(C)c1)/C=C/[C@H]1[C@H](O)C[C@@H]2C=C(CCCCC(=O)O)C[C@H]12
Systematic name  (3)：
  • (1R)-1β-[(1E,3R)-3-ヒドロキシ-4-(3-メチルフェニル)(3-3H)-1-ブテニル]-2α-ヒドロキシ-5-(4-カルボキシブチル)-1,2,3,3aβ,6,6aβ-ヘキサヒドロペンタレン
  • 5-[(3aS,5R,6R,6aS)-5-ヒドロキシ-6-[(1E,3R)-3-ヒドロキシ-4-(3-メチルフェニル)(3-3H)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-[(1E,3R)-3-hydroxy-4-(3-methylphenyl)(3-3H)but-1-en-1-yl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Other name (1)：
  • (1R)-1β-[(1E,3R)-3-Hydroxy-4-(3-methylphenyl)(3-3H)-1-butenyl]-2α-hydroxy-5-(4-carboxybutyl)-1,2,3,3aβ,6,6aβ-hexahydropentalene
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