Chem
J-GLOBAL ID：200907018126568890   Nikkaji number：J1.275.936C

Ichangesin methyl ether

イカンゲンシンメチルエーテル
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： C26H34O7
Molecular formula furigana： C26-H34-O7
Molecular weight： 458.551
InChI： InChI=1S/C26H34O7/c1-21(2)16-12-17(27)24(5)15(23(16,4)25(6,29-7)33-21)8-10-22(3)18(14-9-11-30-13-14)31-20(28)19-26(22,24)32-19/h9,11,13,15-16,18-19H,8,10,12H2,1-7H3/t15-,16+,18+,19-,22+,23-,24+,25+,26-/m1/s1
InChI key： VJXUJFAZXQOXMJ-XLCDCNLBSA-N
SMILES： CO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]12C
Systematic name  (3)：
  • 2-デカルボキシ-19-デオキシ-1-メトキシリモン酸16,17-ラクトン
  • (1R,2R,4S,7S,8S,11R,12R,13S,16R)-7-(フラン-3-イル)-13-メトキシ-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-methoxy-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)：
  • 2-Decarboxy-19-deoxy-1-methoxylimonoic acid 16,17-lactone
  • イカンゲンシンメチルエーテル
  • Ichangesin methyl ether
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