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Substance Name: Rifamycin,12,29-deepoxy-27,28-didehydro-27-demethoxy-1,4-dideoxy-1,4,28,29-tetrahydro-12-hydroxy-21,23-O-(1-methylethylidene)-1,4,29-trioxo-, (27E)-
RN: 146744-88-9
InChIKey: LHQBNUOTIPLORF-JRKGVWSGSA-N

Molecular Formula

  • C39-H47-N-O12

Molecular Weight

  • 721.7953
 
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Names and Synonyms

  • Rifamycin,12,29-deepoxy-27,28-didehydro-27-demethoxy-1,4-dideoxy-1,4,28,29-tetrahydro-12-hydroxy-21,23-O-(1-methylethylidene)-1,4,29-trioxo-, (27E)-

Registry Numbers

CAS Registry Number

  • 146744-88-9

System Generated Number

  • 0146744889

Structure Descriptors

InChI

1S/C39H47NO12/c1-18(15-12-16-41)32(49-24(7)42)22(5)34-23(6)33(50-38(8,9)51-34)19(2)13-11-14-20(3)37(47)40-25-17-26(43)27-28(31(25)45)30(44)21(4)35-29(27)36(46)39(10,48)52-35/h11-19,22-23,32-34,44,48H,1-10H3,(H,40,47)/b13-11+,15-12+,20-14-/t18-,19+,22+,23-,32-,33+,34+,39+/m1/s1

InChIKey

LHQBNUOTIPLORF-JRKGVWSGSA-N

Smiles

C[C@H](\C=C\C=O)[C@@H](OC(=O)C)[C@H](C)[C@@H]1OC(C)(C)O[C@@H]([C@@H](C)\C=C\C=C(\C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c4O[C@](C)(O)C(=O)c34)[C@H]1C