Gelsenicine

CAS Registry Number®

82354-38-9

CAS Name

Gelsenicine

Molecular Formula

C19H22N2O3

Molecular Mass

326.39

Cite this Page

Gelsenicine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82354-38-9 (retrieved 2024-11-22) (CAS RN: 82354-38-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1

InChIKey

InChIKey=BIGABVPVCRHEES-NWPJSNQLSA-N

SMILES

O=C1[C@@]2(C=3C(N1OC)=CC=CC3)[C@]4(C[C@@]5([C@@]([C@](C2)(N=C5CC)[H])(CO4)[H])[H])[H]

Canonical SMILES

O=C1N(OC)C=2C=CC=CC2C13CC4N=C(CC)C5CC3OCC45

Other Names for this Substance

  • Spiro[3H-indole-3,7′(6′H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2′-ethyl-3′a,4′,8′,8′a-tetrahydro-1-methoxy-, (3S,3′R,3′aS,6′R,8′aS)-
  • Gelsedine, 4,20-didehydro-
  • (3S,3′R,3′aS,6′R,8′aS)-2′-Ethyl-3′a,4′,8′,8′a-tetrahydro-1-methoxyspiro[3H-indole-3,7′(6′H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one
  • Humantenmine
  • Spiro[3H-indole-3,7′(6′H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2′-ethyl-3′a,4′,8′,8′a-tetrahydro-9′-hydroxy-1-methoxy-, [3′R-(3′α,3′aβ,6′α,7′α,8′aβ)]-

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