Chem
J-GLOBAL ID：200907003799094630   Nikkaji number：J367.467C

Ichangensin

イカンゲンシン
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： C25H32O7
Molecular formula furigana： C25-H32-O7
Molecular weight： 444.524
InChI： InChI=1S/C25H32O7/c1-20(2)15-11-16(26)23(5)14(22(15,4)24(6,28)32-20)7-9-21(3)17(13-8-10-29-12-13)30-19(27)18-25(21,23)31-18/h8,10,12,14-15,17-18,28H,7,9,11H2,1-6H3/t14-,15+,17+,18-,21+,22-,23+,24+,25-/m1/s1
InChI key： AOULXGJOCGWMQS-IIBBENGESA-N
SMILES： CC1(C)O[C@](C)(O)[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1
Systematic name  (3)：
  • 2-デカルボキシ-19-デオキシ-1-ヒドロキシリモン酸16,17-ラクトン
  • (1R,2R,4S,7S,8S,11R,12R,13S,16R)-7-(フラン-3-イル)-13-ヒドロキシ-1,8,12,13,15,15-ヘキサメチル-3,6,14-トリオキサペンタシクロ[9.7.0.02,4.02,8.012,16]オクタデカン-5,18-ジオン
  • (1R,2R,4S,7S,8S,11R,12R,13S,16R)-7-(furan-3-yl)-13-hydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione
Other name (3)：
  • Ichangensin
  • イカンゲンシン
  • 2-Decarboxy-19-deoxy-1-hydroxylimonoic acid 16,17-lactone
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