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Substance Name: Manzamine A
RN: 104196-68-1
InChIKey: XBHNKFWTEBPAPO-QBFMVWOJSA-N

Molecular Formula

  • C36-H44-N4-O

Molecular Weight

  • 548.771
 
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Names and Synonyms

Name of Substance

  • Manzamine A

Systematic Name

  • 1,13-Etheno-4,21a-methano-1H-azocino(1',2':1,5)pyrrolo(3,2-e)azacyclopentadecin-13(13aH)-ol, 2,3,5,6,7,8,11,12,15,16,17,18,20a,21-tetradecahydro-24-(9H-pyrido(3,4-b)indol-1-yl)-, (1R-(1R*,9Z,13S*,13aR*,20R*,21aR*))-

Registry Numbers

CAS Registry Number

  • 104196-68-1

System Generated Number

  • 0104196681

Structure Descriptors

InChI

1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-26(35(25-39)24-27-13-7-3-6-12-21-40(27)34(35)36)23-30(36)33-32-29(16-19-37-33)28-14-8-9-15-31(28)38-32/h1,4,7-9,13-16,19,23,26-27,34,38,41H,2-3,5-6,10-12,17-18,20-22,24-25H2/b4-1-,13-7-/t26-,27+,34-,35?,36+/m1/s1

InChIKey

XBHNKFWTEBPAPO-QBFMVWOJSA-N

Smiles

C1[N@@]2CCCCC=CCC[C@@]3([C@H]4[C@@]([C@H](C1)C=C3c1nccc3c1[nH]c1ccccc31)(C[C@H]1[N@@]4CCCCC=C1)C2)O