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Substance Name: Methyl 16,17-didehydro-19alpha-methyloxayohimban-16-carboxylate, mononicotinate
RN: 37707-46-3
InChIKey: UCHKSTHUFWQCQU-QAWKRFFXSA-N

Molecular Formula

  • C21-H24-N2-O3.C6-H5-N-O2

Molecular Weight

  • 475.5421
 
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Names and Synonyms

Synonym

  • EINECS 253-635-2

Systematic Name

  • Methyl 16,17-didehydro-19alpha-methyloxayohimban-16-carboxylate, mononicotinate

Registry Numbers

CAS Registry Number

  • 37707-46-3

System Generated Number

  • 0037707463

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O3.C6-H5-N-O2

Molecular Formula Fragments

  • C21-H24-N2-O3
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O3.C6H5NO2/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;8-6(9)5-2-1-3-7-4-5/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1-4H,(H,8,9)/t12-,15-,16+,19-;/m0./s1

InChIKey

UCHKSTHUFWQCQU-QAWKRFFXSA-N

Smiles

C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC.c1cc(cnc1)C(=O)O