Chem
J-GLOBAL ID：200907044671400540   Nikkaji number：J1.812.326F

4-Hydroxybenzoic acid (2S,3S,3aR,4S,6aS)-hexahydro-2-hydroxy-4-methyl-6a-isopropyl-4-(3-oxobutyl)-2H-cyclopenta[b]furan-3-yl ester

4-ヒドロキシ安息香酸(2S,3S,3aR,4S,6aS)-ヘキサヒドロ-2-ヒドロキシ-4-メチル-6a-イソプロピル-4-(3-オキソブチル)-2H-シクロペンタ[b]フラン-3-イル
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： C22H30O6
Molecular formula furigana： C22-H30-O6
Molecular weight： 390.476
InChI： InChI=1S/C22H30O6/c1-13(2)22-12-11-21(4,10-9-14(3)23)18(22)17(20(26)28-22)27-19(25)15-5-7-16(24)8-6-15/h5-8,13,17-18,20,24,26H,9-12H2,1-4H3/t17-,18-,20-,21+,22-/m0/s1
InChI key： NXAOPHXQGPBAHR-UMBQZNGKSA-N
SMILES： CC(C)[C@@]12CC[C@@](C)(CCC(=O)C)[C@@H]1[C@H](OC(=O)c1ccc(O)cc1)[C@@H](O)O2
Systematic name  (3)：
  • 4-ヒドロキシ安息香酸(2S,3S,3aR,4S,6aS)-ヘキサヒドロ-2-ヒドロキシ-4-メチル-6a-イソプロピル-4-(3-オキソブチル)-2H-シクロペンタ[b]フラン-3-イル
  • (2S,3S,3aR,4S,6aS)-2-ヒドロキシ-4-メチル-4-(3-オキソブチル)-6a-(プロパン-2-イル)-ヘキサヒドロ-2H-シクロペンタ[b]フラン-3-イル 4-ヒドロキシベンゾアート
  • (2S,3S,3aR,4S,6aS)-2-hydroxy-4-methyl-4-(3-oxobutyl)-6a-(propan-2-yl)-hexahydro-2H-cyclopenta[b]furan-3-yl 4-hydroxybenzoate
Other name (1)：
  • 4-Hydroxybenzoic acid (2S,3S,3aR,4S,6aS)-hexahydro-2-hydroxy-4-methyl-6a-isopropyl-4-(3-oxobutyl)-2H-cyclopenta[b]furan-3-yl ester
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