Chem
J-GLOBAL ID:200907027262947241   Nikkaji number:J878.312H

Manzamine A N-oxide

マンザミンA-N-オキシド
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: C36H44N3[N+]O[O-]
Molecular formula furigana: C36-H44-N4-O2
Molecular weight: 564.774
InChI: InChI=1S/C36H44N4O2/c41-36-18-10-4-1-2-5-11-19-38-21-17-30(35(25-38)23-26-13-7-3-6-12-20-39(26)34(35)36)29(24-36)33-32-28(16-22-40(33)42)27-14-8-9-15-31(27)37-32/h1,4,7-9,13-16,22,24,26,30,34,37,41H,2-3,5-6,10-12,17-21,23,25H2/b4-1-,13-7?/t26-,30-,34+,35-,36-/m0/s1
InChI key: AQHDHZMKBBWVQD-MGOZPMTQSA-N
SMILES: O[C@@]12CC/C=C\CCCCN3CC[C@@H](C(=C1)c1[n+]([O-])ccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3
Systematic name  (3):
  • 1-[[(1R,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,13,13a,15,16,17,18,20a,21-ヘキサデカヒドロ-13-ヒドロキシ-1,13-エテノ-4,21a-メタノ-1H-アゾシノ[1′,2′:1,5]ピロロ[3,2-e]アザシクロペンタデシン]-24-イル]-9H-ピリド[3,4-b]インドール2-オキシド
  • 1-[(1R,2R,4R,12R,13S,16Z)-13-ヒドロキシ-11,22-ジアザペンタシクロ[11.11.2.12,22.02,12.04,11]ヘプタコサ-5,16,25-トリエン-25-イル]-9H-ピリド[3,4-b]インドール-2-イウム-2-オラート
  • 1-[(1R,2R,4R,12R,13S,16Z)-13-hydroxy-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-25-yl]-9H-pyrido[3,4-b]indol-2-ium-2-olate
Other name (3):
  • マンザミンA-N-オキシド
  • Manzamine A N-oxide
  • 1-[[(1R,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,13,13a,15,16,17,18,20a,21-Hexadecahydro-13-hydroxy-1,13-etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin]-24-yl]-9H-pyrido[3,4-b]indole 2-oxide
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