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Substance Name: Ajacine
RN: 509-17-1
UNII: GP3SE3H2BB
InChIKey: NUXFDCYXMLVOFU-AYBRVATOSA-N

Molecular Formula

  • C34-H48-N2-O9

Molecular Weight

  • 628.7582
 
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Names and Synonyms

Name of Substance

  • Ajacine

Synonyms

  • N-(Acetylanthraniloyl)lycoctonine
  • Pontaconitine A
  • UNII-GP3SE3H2BB

Systematic Name

  • Aconitane-7,8-diol, 4-(((2-(acetylamino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16eta)-

Registry Numbers

CAS Registry Number

  • 509-17-1

FDA UNII

  • GP3SE3H2BB

Other Registry Number

  • 1353-86-2

System Generated Number

  • 0000509171

Structure Descriptors

InChI

1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30+,31+,32-,33+,34-/m1/s1

InChIKey

NUXFDCYXMLVOFU-AYBRVATOSA-N

Smiles

CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C)CC[C@H](OC)[C@@]45[C@@H]6C[C@@H]7[C@H](C[C@@](O)([C@H]6[C@H]7OC)[C@@](O)([C@@H](OC)[C@H]24)[C@@H]15)OC