Chem
J-GLOBAL ID:200907025079572295   Nikkaji number:J639.325J

3,4-Dihydromanzamine A

3,4-ジヒドロマンザミンA
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: C36H46N4O
Molecular formula furigana: C36-H46-N4-O
Molecular weight: 550.791
InChI: InChI=1S/C36H46N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-15,24,26,30,34,38,41H,2-3,5-6,10-12,16-23,25H2/b4-1-,13-7?/t26-,30-,34+,35-,36-/m0/s1
InChI key: GILIOBQLHZOVPZ-MGOZPMTQSA-N
SMILES: O[C@@]12CC/C=C\CCCCN3CC[C@@H](C(=C1)C1=NCCc4c1[nH]c1ccccc41)[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3
Systematic name  (3):
  • (1R,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-テトラデカヒドロ-24-[(3,4-ジヒドロ-9H-ピリド[3,4-b]インドール)-1-イル]-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-13(13aH)-オール
  • (1R,2R,4R,12R,13S,16Z)-25-{3H,4H,9H-ピリド[3,4-b]インドール-1-イル}-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-13-オール
  • (1R,2R,4R,12R,13S,16Z)-25-{3H,4H,9H-pyrido[3,4-b]indol-1-yl}-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Other name (3):
  • 3,4-ジヒドロマンザミンA
  • 3,4-Dihydromanzamine A
  • (1R,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-[(3,4-dihydro-9H-pyrido[3,4-b]indol)-1-yl]-1,13-etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol
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