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Substance Name: Deacetylpicraline 3,4,5-trimethoxybenzoate
RN: 102358-22-5
InChIKey: CLCDMQIWPVOTMQ-OTIPNRPASA-N

Note

  • Indole alkaloid from roots of Alstonia yunnanensis.

Molecular Formula

  • C31-H34-N2-O8

Molecular Weight

  • 562.616
 
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Names and Synonyms

Name of Substance

  • Deacetylpicraline 3,4,5-trimethoxybenzoate

Synonym

  • Dap-tmb

Systematic Name

  • Akuammilan-16-carboxylic acid, 2,5-epoxy-1,2-dihydro-17-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (2alpha,5alpha,16R)-

Registry Numbers

CAS Registry Number

  • 102358-22-5

System Generated Number

  • 0102358225

Molecular Formulas

Molecular Formula

  • C31-H34-N2-O8

Molecular Formula Fragments

  • C31-H34-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6-/t20-,24-,25-,29?,30-,31-/m0/s1

InChIKey

CLCDMQIWPVOTMQ-OTIPNRPASA-N

Smiles

c1(cc(c(c(c1)OC)OC)OC)C(OC[C@]1([C@H]\2C[C@H]3[C@@]45[C@@]1(C[C@@H]([N@@]3CC2=C/C)O4)c1c(N5)cccc1)C(OC)=O)=O