Chem
J-GLOBAL ID：201007071288114973   Nikkaji number：J2.873.207D

Alsmaphorazine B

アルスマホラジンB
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： C20H20N2O5
Molecular formula furigana： C20-H20-N2-O5
Molecular weight： 368.389
InChI： InChI=1S/C20H20N2O5/c1-10(23)19-9-11-8-18-12-5-3-4-6-13(12)21-16(18)20(25,17(24)26-2)14(19)7-15(18)22(11)27-19/h3-6,11,14-15,25H,7-9H2,1-2H3/t11-,14+,15+,18+,19+,20-/m0/s1
InChI key： WWIBGQMTSHPTLL-XXRHHPNOSA-N
SMILES： COC(=O)[C@]1(O)[C@@H]2C[C@H]3N4O[C@]2(C[C@@H]4C[C@@]23C1=Nc1ccccc21)C(=O)C
Systematic name  (3)：
  • 4bβ,7β:5β,10β-ジメタノ-6,9α-エポキシ-9-アセチル-11-ヒドロキシ-4b,5,6,7,8,9,10,11-オクタヒドロ-6,12-ジアザシクロノナ[a]インデン-11β-カルボン酸メチル
  • メチル (1R,3S,5S,8R,10S,11S)-5-アセチル-11-ヒドロキシ-6-オキサ-7,13-ジアザヘキサシクロ[10.7.0.01,8.03,7.05,10.014,19]ノナデカ-12,14,16,18-テトラエン-11-カルボキシラート
  • methyl (1R,3S,5S,8R,10S,11S)-5-acetyl-11-hydroxy-6-oxa-7,13-diazahexacyclo[10.7.0.01,8.03,7.05,10.014,19]nonadeca-12,14,16,18-tetraene-11-carboxylate
Other name (3)：
  • 4bβ,7β:5β,10β-Dimethano-6,9α-epoxy-9-acetyl-11-hydroxy-4b,5,6,7,8,9,10,11-octahydro-6,12-diazacyclonona[a]indene-11β-carboxylic acid methyl ester
  • Alsmaphorazine B
  • アルスマホラジンB
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