Chem
J-GLOBAL ID：200907034555322676   Nikkaji number：J1.583.455B

Lactucopicrin

ラクツコピクリン
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： C23H22O7
Molecular formula furigana： C23-H22-O7
Molecular weight： 410.422
InChI： InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1
InChI key： UMVSOHBRAQTGQI-XGARDCMYSA-N
SMILES： CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc1ccc(O)cc1)C(=CC2=O)CO
Systematic name  (5)：
  • (3aR,4S)-3,3aβ,4,5,9aβ,9bα-ヘキサヒドロ-4-[[(4-ヒドロキシフェニル)アセチル]オキシ]-9-(ヒドロキシメチル)-6-メチル-3-メチレンアズレノ[4,5-b]フラン-2,7-ジオン
  • (3aR)-3,3aβ,4,5,9aβ,9bα-ヘキサヒドロ-4β-[(4-ヒドロキシベンジル)カルボニルオキシ]-9-(ヒドロキシメチル)-6-メチル-3-メチレンアズレノ[4,5-b]フラン-2,7-ジオン
  • 4-ヒドロキシベンゼン酢酸[(3aR)-2,7-ジオキソ-3-メチレン-6-メチル-9-(ヒドロキシメチル)-2,3,3aβ,4,5,7,9aβ,9bα-オクタヒドロアズレノ[4,5-b]フラン-4β-イル]
  • (3aR,4S,9aS,9bR)-9-(ヒドロキシメチル)-6-メチル-3-メチリデン-2,7-ジオキソ-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-4-イル 2-(4-ヒドロキシフェニル)アセタート
  • (3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
Other name (7)：
  • (3aR,4S)-3,3aβ,4,5,9aβ,9bα-Hexahydro-4-[[(4-hydroxyphenyl)acetyl]oxy]-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione
  • ラクツピクリン
  • Lactupicrin
  • (3aR)-3,3aβ,4,5,9aβ,9bα-Hexahydro-4β-[(4-hydroxybenzyl)carbonyloxy]-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione
  • 4-Hydroxybenzeneacetic acid [(3aR)-2,7-dioxo-3-methylene-6-methyl-9-(hydroxymethyl)-2,3,3aβ,4,5,7,9aβ,9bα-octahydroazuleno[4,5-b]furan-4β-yl] ester
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CAS registry number： 65725-11-3
KEGG COMPOUND： C09490
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