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Substance Name: Pradimicin B
RN: 117704-66-2
InChIKey: DHQWPIXFALDZDJ-LPEZYDJLSA-N

Note

  • From actinomycete strain No. P157-2.

Molecular Formula

  • C35-H36-N2-O14

Molecular Weight

  • 708.669
 
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Names and Synonyms

Name of Substance

  • Pradimicin B

Systematic Name

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-

Registry Numbers

CAS Registry Number

  • 117704-66-2

System Generated Number

  • 0117704662

Structure Descriptors

InChI

1S/C35H36N2O14/c1-10-6-17-22(28(42)19(10)33(46)37-11(2)34(47)48)21-15(27(41)32(17)51-35-31(45)30(44)24(36-4)12(3)50-35)9-16-23(29(21)43)26(40)14-7-13(49-5)8-18(38)20(14)25(16)39/h6-9,11-12,24,27,30-32,35-36,38,41-45H,1-5H3,(H,37,46)(H,47,48)/t11-,12-,24+,27+,30+,31-,32+,35+/m1/s1

InChIKey

DHQWPIXFALDZDJ-LPEZYDJLSA-N

Smiles

O([C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)NC)C)[C@@H]1[C@H](c2cc3c(C(c4cc(OC)cc(c4C3=O)O)=O)c(c2c2c1cc(c(c2O)C(N[C@@H](C(=O)O)C)=O)C)O)O