Chem
J-GLOBAL ID：200907055667847205   Nikkaji number：J1.283.913H

Epihomoharringtonine

エピホモハリングトニン
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： C29H39NO9
Molecular formula furigana： C29-H39-N-O9
Molecular weight： 545.629
InChI： InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29+/m1/s1
InChI key： HYFHYPWGAURHIV-RZCBTRPQSA-N
SMILES： COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC
Systematic name  (3)：
  • (S)-2-ヒドロキシ-2-(4-ヒドロキシ-4-メチルペンチル)ブタン二酸1-(3-デオキシセファロタキシン-3-イル)4-メチル
  • (2S,3S,6R)-4-メトキシ-16,18-ジオキサ-10-アザペンタシクロ[11.7.0.02,6.06,10.015,19]イコサ-1(20),4,13,15(19)-テトラエン-3-イル 1-メチル (3S)-3-ヒドロキシ-3-(4-ヒドロキシ-4-メチルペンチル)ブタンジオアート
  • (2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3S)-3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate
Other name (3)：
  • (S)-2-Hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioic acid 1-(3-deoxycephalotaxine-3-yl)4-methyl ester
  • エピホモハリングトニン
  • Epihomoharringtonine
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