Chem
J-GLOBAL ID：200907063563085586   Nikkaji number：J1.945.369C

Excoecarin V3

エクスセカリンV3
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： C20H32O3
Molecular formula furigana： C20-H32-O3
Molecular weight： 320.473
InChI： InChI=1S/C20H32O3/c1-13(2)15-6-10-20-9-5-14(19(4,23)12-20)11-16(20)18(15,3)8-7-17(21)22/h14-16,23H,1,5-12H2,2-4H3,(H,21,22)/t14-,15+,16-,18+,19-,20+/m0/s1
InChI key： IPQYREFAGRPQPJ-YDMLNEHTSA-N
SMILES： CC(=C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@@](C)(O)C3
Systematic name  (3)：
  • (5β,8S,9β,10α,12S)-3,4-セコ-16β-ヒドロキシアチサ-4(19)-エン-3-酸
  • 3-[(1S,4R,5R,6R,8S,9S)-9-ヒドロキシ-5,9-ジメチル-4-(プロパ-1-エン-2-イル)トリシクロ[6.2.2.01,6]ドデカン-5-イル]プロパン酸
  • 3-[(1S,4R,5R,6R,8S,9S)-9-hydroxy-5,9-dimethyl-4-(prop-1-en-2-yl)tricyclo[6.2.2.01,6]dodecan-5-yl]propanoic acid
Other name (3)：
  • (5β,8S,9β,10α,12S)-3,4-Seco-16β-hydroxyatisa-4(19)-ene-3-oic acid
  • エクスセカリンV3
  • Excoecarin V3
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