(2′R,3S,3′R,3′aS,6′R,8′aS)-2′-Ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one

CAS Registry Number®

6887-28-1

CAS Name

(2′R,3S,3′R,3′aS,6′R,8′aS)-2′-Ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one

Molecular Formula

C20H26N2O4

Molecular Mass

358.43

Cite this Page

(2′R,3S,3′R,3′aS,6′R,8′aS)-2′-Ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6887-28-1 (retrieved 2024-10-05) (CAS RN: 6887-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1

InChIKey

InChIKey=RIHQHYIWKHVLRH-XKTBTPLDSA-N

SMILES

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

Canonical SMILES

O=C1N(OC)C2=CC(OC)=CC=C2C13CC4NC(CC)C5CC3OCC45

Other Names for this Substance

  • Spiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2′-ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxy-, (2′R,3S,3′R,3′aS,6′R,8′aS)-
  • Gelsedine, 11-methoxy-
  • Spiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2′-ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxy-, (2′R,3S,3′S,3′aS,6′R,8′aS)-
  • (2′R,3S,3′R,3′aS,6′R,8′aS)-2′-Ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one
  • Spiro[3H-indole-3,7′(6′H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2′-ethyl-2′,3′,3′a,4′,8′,8′a-hexahydro-1,6-dimethoxy-, [2′R-(2′α,3′α,3′aβ,6′α,7′α,8′aβ)]-

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox