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Substance Name: Avadharidine
RN: 509-16-0
InChIKey: ZBALYAJAWGGUCX-DPXOICMOSA-N

Molecular Formula

  • C36-H51-N3-O10

Molecular Weight

  • 685.8099
 
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Names and Synonyms

Results Name

  • Avadharidine

Synonym

  • Avadharidine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 509-16-0

System Generated Number

  • 0000509160

Structure Descriptors

InChI

1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24-,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1

InChIKey

ZBALYAJAWGGUCX-DPXOICMOSA-N

Smiles

CCN1C[C@@]2(CC[C@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7NC(=O)CCC(=O)N