Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-

CAS Registry Number®

4835-69-2

CAS Name

Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-

Molecular Formula

C21H24N2O3

Molecular Mass

352.43

Cite this Page

Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4835-69-2 (retrieved 2024-11-21) (CAS RN: 4835-69-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    276-278 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17+,18-,20?,21?/m0/s1

InChIKey

InChIKey=RLUORQGMBKDXPO-XBWCDCIKSA-N

SMILES

O[C@H]1C23[C@@]([C@]4([N@]5[C@@](C2)(C1(C(OC)=O)C(C4)/C(=C\C)/C5)[H])[H])(NC=6C3=CC=CC6)[H]

Canonical SMILES

O=C(OC)C12C(O)C34C=5C=CC=CC5NC4C6N(CC(=CC)C1C6)C2C3

Other Names for this Substance

  • Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-
  • Quebrachidine
  • 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-16-carboxylic acid deriv.
  • (+)-Quebrachidine
  • Quebrachidin

Deleted or Replaced CAS Registry Numbers

2254-25-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration