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Substance Name: Contortumine
RN: 131653-96-8
InChIKey: AVBUZBLOHGCPMP-UHFFFAOYSA-N

Molecular Formula

  • C30-H41-N-O7

Molecular Weight

  • 511.6549
 
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Names and Synonyms

Results Name

  • Contortumine

Synonyms

  • (1alpha,14alpha,16beta)-20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate)
  • 20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate), (1alpha,14alpha,16beta)-
  • Contortumine

Systematic Name

  • Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, 14-(4-methoxybenzoate), (1alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 131653-96-8

Other Registry Number

  • 141426-85-9

System Generated Number

  • 0131653968

Structure Descriptors

InChI

1S/C30H41NO6/c1-5-31-15-17-8-11-24(36-4)30-20(17)13-22(27(30)31)29(33)14-23(35-3)19-12-21(30)25(29)26(19)37-28(32)16-6-9-18(34-2)10-7-16/h6-7,9-10,17,19-27,33H,5,8,11-15H2,1-4H3

InChIKey

AVBUZBLOHGCPMP-UHFFFAOYSA-N

Smiles

CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)c7ccc(cc7)OC)OC)O)OC