(1S,3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-2,3,11,11a,13,14,22,22a-Octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-10H,21H-1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium

CAS Registry Number®

6888-23-9
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CAS Name

(1S,3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-2,3,11,11a,13,14,22,22a-Octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-10H,21H-1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium

Molecular Formula

C40H46N4O2

Cite this Page

(1S,3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-2,3,11,11a,13,14,22,22a-Octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-10H,21H-1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6888-23-9 (retrieved 2024-09-08) (CAS RN: 6888-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21?,30-22?/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1

InChIKey

InChIKey=IIYHWTVUYIYKKG-PEJNILGASA-N

SMILES

C[N@@+]12[C@@]3([C@@]4([C@@]5(C([C@@](C3)(/C(=C\CO)/C1)[H])=CN6[C@]7(C(=CN5C=8C4=CC=CC8)[C@]/9(C[C@]%10([C@]7(C=%11C6=CC=CC%11)CC[N@@+]%10(C)C\C9=C\CO)[H])[H])[H])[H])CC2)[H]

Canonical SMILES

OCC=C1C[N+]2(C)CCC34C=5C=CC=CC5N6C=C7C8C(=CCO)C[N+]9(C)CCC%10(C=%11C=CC=CC%11N(C=C(C1CC32)C64)C7%10)C9C8

Other Names for this Substance

  • 10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium, 2,3,11,11a,13,14,22,22a-octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-, (1S,3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-
  • Toxiferine I
  • 10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium, 2,3,11,11a,13,14,22,22a-octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-, [1S-(1α,3aR*,10α,11aβ,12α,14aR*,19aα,20bα,21α,22aβ,23E,26E)]-
  • (1S,3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-2,3,11,11a,13,14,22,22a-Octahydro-23,26-bis(2-hydroxyethylidene)-1,12-dimethyl-10H,21H-1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium
  • C-Toxiferine I

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Deleted or Replaced CAS Registry Numbers

1407-25-6, 6989-43-1, 27107-93-3