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Substance Name: Urdamycin C
RN: 104443-43-8
InChIKey: CTCZFABGJCXFCL-ISORPGPBSA-N

Note

  • Angucycline antibiotic from Streptomyces fradiae.

Molecular Formula

  • C51-H60-O19

Molecular Weight

  • 977.016
 
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Names and Synonyms

Name of Substance

  • Urdamycin C

Synonym

  • Urdamycin C

Systematic Names

  • Benz(7,8)anthra(9,1-bc)pyran-2,6,13(10H)-trione, 5-(2,6-dideoxy-3-O-((2S-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-9a,11,12,13a-tetrahydro-7,9a,11-trihydroxy-3-(4-hydroxyphenyl)-11-methyl-13a-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (9aR-(9aalpha,11alpha,13aalpha(2S*,5S*,6S*)))-
  • Urdamycin C

Registry Numbers

CAS Registry Number

  • 104443-43-8

System Generated Number

  • 0104443438

Structure Descriptors

InChI

1S/C51H60O19/c1-21-30(53)10-12-37(64-21)70-51-35(55)19-49(5,61)20-50(51,62)15-14-27-42(51)47-40-29(39(48(60)69-47)25-6-8-26(52)9-7-25)16-28(46(59)41(40)45(27)58)33-18-34(44(57)24(4)63-33)68-36-13-11-32(22(2)65-36)67-38-17-31(54)43(56)23(3)66-38/h6-9,14-16,21-24,30-34,36-38,43-44,52-54,56-58,61-62H,10-13,17-20H2,1-5H3/t21-,22+,23-,24-,30+,31-,32+,33-,34-,36+,37+,38+,43-,44-,49+,50+,51+/m1/s1

InChIKey

CTCZFABGJCXFCL-ISORPGPBSA-N

Smiles

C[C@@H]1[C@H](CC[C@@H](O1)O[C@@]23c4c(c(c5c6c4oc(=O)c(c6C=C(C5=O)[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8CC[C@@H]([C@@H](O8)C)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O)c1ccc(cc1)O)O)C=C[C@@]2(C[C@@](CC3=O)(C)O)O)O