Chem
J-GLOBAL ID：200907002078141452   Nikkaji number：J2.489.143G

Horhammericine

ホルハンメリシン
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： C21H24N2O4
Molecular formula furigana： C21-H24-N2-O4
Molecular weight： 368.433
InChI： InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15+,17+,19-,20+,21+/m1/s1
InChI key： QVNXPWJNUKKMHP-JJGNIUBRSA-N
SMILES： COC(=O)C1=C2Nc3ccccc3[C@]32CCN2C[C@@H]4O[C@@H]4[C@](C1)([C@@H](C)O)[C@@H]32
Systematic name  (3)：
  • (5α,6α,7α,12R,19R,20R)-2,3-ジデヒドロ-6,7-エポキシ-20-ヒドロキシアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1R,12S,13R,15S,20R)-12-[(1R)-1-ヒドロキシエチル]-14-オキサ-8,17-ジアザヘキサシクロ[10.7.1.01,9.02,7.013,15.017,20]イコサ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (1R,12S,13R,15S,20R)-12-[(1R)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Other name (3)：
  • (5α,6α,7α,12R,19R,20R)-2,3-Didehydro-6,7-epoxy-20-hydroxyaspidospermidine-3-carboxylic acid methyl ester
  • ホルハンメリシン
  • Horhammericine
KEGG COMPOUND： C11677
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