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Substance Name: Aclacinomycin N, 13-methyl-
ID: AR50925000
InChIKey: XCFREMMTYQYOHO-QJPTVDSVSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C43-H57-N-O15

Molecular Weight

  • 827.9153
 
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Names and Synonyms

Synonym

  • 13-Methylaclacinomycin N

Systematic Name

  • Aclacinomycin N, 13-methyl-

Registry Numbers

ID Number

  • NIOSH/AR5092500

System Generated Number

  • AR50925000

Structure Descriptors

InChI

1S/C43H57NO15/c1-18(2)43(52)17-29(34-23(36(43)42(51)53-8)14-24-35(39(34)50)38(49)33-22(37(24)48)10-9-11-27(33)46)57-31-15-25(44(6)7)40(20(4)55-31)59-32-16-28(47)41(21(5)56-32)58-30-13-12-26(45)19(3)54-30/h9-11,14,18-21,25-26,28-32,36,40-41,45-47,50,52H,12-13,15-17H2,1-8H3/t19-,20-,21-,25-,26-,28-,29-,30-,31-,32-,36-,40+,41+,43-/m0/s1

InChIKey

XCFREMMTYQYOHO-QJPTVDSVSA-N

Smiles

COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2[C@H](C[C@]1(O)C(C)C)O[C@H]5C[C@@H]([C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7CC[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)N(C)C