Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

CAS Registry Number®

10012-73-4

CAS Name

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

Molecular Formula

C21H26N2O3

Molecular Mass

354.44

Cite this Page

Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10012-73-4 (retrieved 2024-12-22) (CAS RN: 10012-73-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    199-200 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21-/m0/s1

InChIKey

InChIKey=MBXJCHZRHROMQA-OSZHWHEXSA-N

SMILES

C(OC)(=O)[C@]1(CO)C2=C(C=3C(N2)=CC=CC3)CC[N@]4C\C(=C\C)\[C@@]1(CC4)[H]

Canonical SMILES

O=C(OC)C1(C=2NC=3C=CC=CC3C2CCN4CC(=CC)C1CC4)CO

Other Names for this Substance

  • 1H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid, 5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-, methyl ester, (3S,5E,6S,7S)-
  • Stemmadenine
  • 3,7-Secocuran-16-carboxylic acid, 2,7,19,20-tetradehydro-17-hydroxy-, methyl ester, (19E)-
  • 2H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid, 5-ethylidene-1,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-, methyl ester, (3S,5E,6S,7S)-
  • Methyl (3S,5E,6S,7S)-5-ethylidene-2,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-1H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

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