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
C21H24N2O3Molecular Mass
352.43Cite 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 ) (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