Chem
J-GLOBAL ID：200907052036032120   Nikkaji number：J766.139H

Catalpin

カタルピン
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： C16H18O7
Molecular formula furigana： C16-H18-O7
Molecular weight： 322.313
InChI： InChI=1S/C16H18O7/c17-9-3-1-8(2-4-9)14(19)22-11-6-16(20)7-21-15-13(16)10(11)5-12(18)23-15/h1-4,10-13,15,17-18,20H,5-7H2/t10-,11+,12-,13+,15-,16+/m0/s1
InChI key： ZGEFAWWFLHUTII-ZNOBHYIQSA-N
SMILES： O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)[C@@H]23)OC(=O)c1ccc(O)cc1
Systematic name  (3)：
  • 4-ヒドロキシ安息香酸[(4aβ,7aβ,7bβ)-2aβ,6β-ジヒドロキシオクタヒドロ-2H-1,7-ジオキサ-1H-シクロペンタ[cd]インデン]-4β-イル
  • (1S,4S,6R,7R,9S,11S)-4,9-ジヒドロキシ-2,10-ジオキサトリシクロ[5.3.1.04,11]ウンデカン-6-イル 4-ヒドロキシベンゾアート
  • (1S,4S,6R,7R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl 4-hydroxybenzoate
Other name (3)：
  • カタルピン
  • Catalpin
  • 4-Hydroxybenzoic acid [(4aβ,7aβ,7bβ)-2aβ,6β-dihydroxyoctahydro-2H-1,7-dioxa-1H-cyclopent[cd]inden]-4β-yl ester
CAS registry number： 1390-72-3
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