Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2β,3α,5α,12R,19α,20S)-

CAS Registry Number®

11034-66-5

CAS Name

Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2β,3α,5α,12R,19α,20S)-

Molecular Formula

C21H24N2O4

Molecular Mass

368.43

Cite this Page

Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2β,3α,5α,12R,19α,20S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11034-66-5 (retrieved 2024-12-11) (CAS RN: 11034-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-232 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24N2O4/c1-13-18-8-5-10-23-11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(19,25)20(12-18,27-13)17(24)26-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13-,16-,18-,19+,20+,21-/m0/s1

InChIKey

InChIKey=YOQNZWXFGROKGY-SLAIWKLBSA-N

SMILES

O[C@@]12[C@@]3([C@@]4([C@]5(C[C@]1(C(OC)=O)O[C@H]5C)C=CCN4CC3)[H])C=6C(N2)=CC=CC6

Canonical SMILES

O=C(OC)C12OC(C)C3(C=CCN4CCC5(C=6C=CC=CC6NC15O)C43)C2

Other Names for this Substance

  • Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2β,3α,5α,12R,19α,20S)-
  • Vincoline
  • Aspidospermidine-3-carboxylic acid, 6,7-didehydro-3,20-epoxy-2-hydroxy-, methyl ester, (2β,3α,5α,12β,19α,20S)-
  • 20-Epimelobaline

Deleted or Replaced CAS Registry Numbers

52910-81-3

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background