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Substance Name: Baumycin B2
RN: 64312-53-4
InChIKey: FEMNWPQDEXLDKE-WDLAWJQVSA-N

Molecular Formula

  • C34-H41-N-O14

Molecular Weight

  • 687.691
 
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Names and Synonyms

Results Name

  • Baumycin B2

Synonyms

  • (8S-cis)-8-Acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • Baumycin B2

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 64312-53-4

System Generated Number

  • 0064312534

Structure Descriptors

InChI

1S/C34H41NO14/c1-13(36)9-22(47-15(3)33(42)43)49-32-14(2)46-23(10-19(32)35)48-21-12-34(44,16(4)37)11-18-25(21)31(41)27-26(29(18)39)28(38)17-7-6-8-20(45-5)24(17)30(27)40/h6-8,13-15,19,21-23,32,36,39,41,44H,9-12,35H2,1-5H3,(H,42,43)/t13?,14-,15?,19-,21-,22?,23-,32+,34-/m0/s1

InChIKey

FEMNWPQDEXLDKE-WDLAWJQVSA-N

Smiles

C([C@@H](O)C)[C@@H](O[C@@H](C(O)=O)C)O[C@@H]1[C@@H](O[C@H](C[C@@H]1N)O[C@@H]1c2c(O)c3C(=O)c4c(cccc4C(=O)c3c(O)c2C[C@@](C1)(O)C(=O)C)OC)C