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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-19-deoxy-38-((methoxy)carbonyl)-
RN: 104581-79-5
InChIKey: XRSVNFWJYMGXSG-MXHKRQEISA-N

Molecular Formula

  • C59-H47-Cl2-N7-O18

Molecular Weight

  • 1212.9573
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-methoxy carbonyl-

Systematic Name

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-19-deoxy-38-((methoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 104581-79-5

System Generated Number

  • 0104581795

Structure Descriptors

InChI

1S/C59H47Cl2N7O18/c1-83-59(82)49-32-20-29(70)21-38(73)44(32)31-14-24(4-6-36(31)71)46-55(78)68-50(58(81)67-49)51(74)25-5-9-40(34(61)15-25)86-43-18-27-17-42(52(43)75)85-39-8-2-22(10-33(39)60)11-35-53(76)64-47(56(79)66-48(27)57(80)65-46)26-12-28(69)19-30(13-26)84-41-16-23(3-7-37(41)72)45(62)54(77)63-35/h2-10,12-21,35,45-51,69-75H,11,62H2,1H3,(H,63,77)(H,64,76)(H,65,80)(H,66,79)(H,67,81)(H,68,78)/t35-,45-,46-,47+,48-,49+,50+,51-/m1/s1

InChIKey

XRSVNFWJYMGXSG-MXHKRQEISA-N

Smiles

COC(=O)[C@@H]1c2cc(cc(c2-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N1)O)O