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Substance Name: 5-Carboxytetrahydroalstonine
RN: 133541-29-4
InChIKey: WSXJOKFIYUUXTN-HOAAAOCKSA-N

Molecular Formula

  • C21-H22-N2-O4.C3-H6-O

Molecular Weight

  • 424.4942
 
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Names and Synonyms

Name of Substance

  • 5-Carboxytetrahydroalstonine

Synonyms

  • 5-Cehas
  • Methyl 7,8,13,13b,14,14a-hexahydro-4-methyl-5-oxo-4H-indolo-(2,3-a)pyrano(3,4-g)quinolizine-7-carboxylate

Systematic Name

  • Oxayohimban-5-carboxylic acid, 16,17-didehydro-19-methyl-21-oxo-, methyl ester, (5beta,19alpha,20alpha)-(+-)-, compd. with 2-propanone (1:1)

Registry Numbers

CAS Registry Number

  • 133541-29-4

System Generated Number

  • 0133541294

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O4.C3-H6-O

Molecular Formula Fragments

  • C21-H22-N2-O4
  • C3-H6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O4.C3H6O/c1-11-18-12(7-8-27-11)9-16-19-14(13-5-3-4-6-15(13)22-19)10-17(21(25)26-2)23(16)20(18)24;1-3(2)4/h3-8,11-12,16-18,22H,9-10H2,1-2H3;1-2H3/t11-,12-,16-,17-,18-;/m0./s1

InChIKey

WSXJOKFIYUUXTN-HOAAAOCKSA-N

Smiles

C[C@H]1[C@H]2[C@H](C[C@H]3c4c(c5ccccc5[nH]4)C[C@H](N3C2=O)C(=O)OC)C=CO1.CC(=O)C