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Substance Name: Herbadine
RN: 38485-12-0
InChIKey: UKEZNSARWDASSV-XSJYRGKZSA-N

Note

  • Related chemically to ajmaline; isolated from Vinca libanotica.

Molecular Formula

  • C21-H24-N2-O4

Molecular Weight

  • 368.4306
 
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Names and Synonyms

Name of Substance

  • Herbadine

Systematic Name

  • Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-3,17-dihydroxy-, methyl ester, (2alpha,17S,19E)-

Registry Numbers

CAS Registry Number

  • 38485-12-0

System Generated Number

  • 0038485120

Structure Descriptors

InChI

1S/C21H24N2O4/c1-3-11-10-23-15-9-19-12-6-4-5-7-14(12)22-16(19)20(23,26)8-13(11)21(15,17(19)24)18(25)27-2/h3-7,13,15-17,22,24,26H,8-10H2,1-2H3/b11-3+/t13?,15?,16?,17-,19?,20+,21-/m0/s1

InChIKey

UKEZNSARWDASSV-XSJYRGKZSA-N

Smiles

COC(=O)[C@]12[C@@H](O)C34CC1N5C\C(=C/C)\C2C[C@@]5(O)C3Nc6ccccc46