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Substance Name: Halomicin B
RN: 54356-09-1
InChIKey: DBVJZITWQIGQRT-CMOSQAEKSA-N

Note

  • Electrochemically oxidized to rifamycin S.

Molecular Formula

  • C43-H58-N2-O12

Molecular Weight

  • 794.933
 
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Names and Synonyms

Name of Substance

  • Halomicin B

Systematic Name

  • Rifamycin, 4-deoxy-4-(2-(1-hydroxyethyl)-1-pyrrolidinyl)-, (4(2R(1S)))-

Registry Numbers

CAS Registry Number

  • 54356-09-1

System Generated Number

  • 0054356091

Structure Descriptors

InChI

1S/C43H58N2O12/c1-20-13-11-14-21(2)42(53)44-28-19-30(45-17-12-15-29(45)26(7)46)32-33(38(28)51)37(50)25(6)40-34(32)41(52)43(9,57-40)55-18-16-31(54-10)22(3)39(56-27(8)47)24(5)36(49)23(4)35(20)48/h11,13-14,16,18-20,22-24,26,29,31,35-36,39,46,48-51H,12,15,17H2,1-10H3,(H,44,53)/b13-11+,18-16+,21-14-/t20-,22+,23+,24+,26?,29?,31-,35-,36+,39+,43-/m0/s1

InChIKey

DBVJZITWQIGQRT-CMOSQAEKSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc2cc(c1c(c(O)c3C)c2O)N1[C@@H]([C@@H](O)C)CCC1)=O)C)C)C)O)C)OC(=O)C)C)OC)C