Chem
J-GLOBAL ID：200907021396898710   Nikkaji number：J16.112H

Eupachlorin

オイパクロリン
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： C20H25ClO7
Molecular formula furigana： C20-H25-CL-O7
Molecular weight： 412.860
InChI： InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1
InChI key： VCAKAFVZYNRGKS-WBNZXOOCSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1C[C@](O)(CCl)[C@@H]2[C@H](O)C=C(C)[C@]2(O)[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸(3aR)-6-クロロメチル-2,3,3a,4,5,6,6aβ,7,9a,9bα-デカヒドロ-6β,7α,9aβ-トリヒドロキシ-9-メチル-3-メチレン-2-オキソアズレノ[4,5-b]フラン-4α-イル
  • (3aR,4R,6R,6aR,7R,9aS,9bS)-6-(クロロメチル)-6,7,9a-トリヒドロキシ-9-メチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-アズレノ[4,5-b]フラン-4-イル (2Z)-2-メチルブタ-2-エノアート
  • (3aR,4R,6R,6aR,7R,9aS,9bS)-6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • オイパクロリン
  • Eupachlorin
  • (Z)-2-Methyl-2-butenoic acid (3aR)-6-chloromethyl-2,3,3a,4,5,6,6aβ,7,9a,9bα-decahydro-6β,7α,9aβ-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4α-yl ester
CAS registry number： 20071-50-5
KEGG COMPOUND： C09416
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