(1R,4S,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(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

CAS Registry Number®

104196-68-1
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CAS Name

(1R,4S,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(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

Molecular Formula

C36H44N4O

Molecular Mass

548.76

Cite this Page

(1R,4S,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104196-68-1 (retrieved 2024-07-05) (CAS RN: 104196-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124-128 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H44N4O/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/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1+,13-7?/t26-,30-,34+,35-,36-/m0/s1

InChIKey

InChIKey=FUCSLKWLLSEMDQ-SFMPPMLESA-N

SMILES

O[C@]12[C@]3([C@@]4([C@](C(=C1)C5=C6C(C=7C(N6)=CC=CC7)=CC=N5)(CC[N@@](C4)CCCC\C=C\CC2)[H])C[C@]8(N3CCCCC=C8)[H])[H]

Canonical SMILES

OC12C=C(C3=NC=CC=4C5=CC=CC=C5NC34)C6CCN(CCCCC=CCC1)CC76CC8C=CCCCCN8C27

Other Names for this Substance

  • 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,4S,9Z,13S,13aR,20aR,21aR)-
  • 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*,20aR*,21aR*)]-
  • 9H-Pyrido[3,4-b]indole, 1,13-etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol deriv.
  • (1R,4S,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(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
  • Manzamine A

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