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Substance Name: Quebrachidine
RN: 4835-69-2
InChIKey: RLUORQGMBKDXPO-BELZCFSLSA-N

Molecular Formula

  • C21-H24-N2-O3

Molecular Weight

  • 352.4316
 
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Names and Synonyms

Name of Substance

  • Quebrachidine

Synonym

  • 9,20-Didehydro-17-hydroxy-22-norajmalan-16-carboxylic acid methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4835-69-2

System Generated Number

  • 0004835692

Structure Descriptors

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

RLUORQGMBKDXPO-BELZCFSLSA-N

Smiles

N1[C@H]2[C@@]3([C@@H]([C@@]4([C@H]([N@@]5CC(\[C@@H]4C[C@@H]25)=C/C)C3)C(OC)=O)O)c2c1cccc2