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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((phenylmethoxy)carbonyl)-
RN: 104581-72-8
InChIKey: ZCLBNATZKFCZDL-VFIHPRCOSA-N

Molecular Formula

  • C66-H51-Cl2-N7-O20

Molecular Weight

  • 1333.0639
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((phenylmethoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 104581-72-8

System Generated Number

  • 0104581728

Structure Descriptors

InChI

InChI=1S/C66H51Cl2N7O20/c67-39-14-28-6-12-45(39)94-48-21-33-22-49(58(48)82)95-46-13-9-31(19-40(46)68)57(81)56-64(88)73-55(65(89)90)38-24-35(77)25-44(80)50(38)37-18-29(7-10-42(37)78)51(61(85)74-56)71-63(87)54(33)72-62(86)53-32-16-34(76)23-36(17-32)93-47-20-30(8-11-43(47)79)52(60(84)69-41(15-28)59(83)70-53)75-66(91)92-26-27-4-2-1-3-5-27/h1-14,16-25,41,51-57,76-82H,15,26H2,(H,69,84)(H,70,83)(H,71,87)(H,72,86)(H,73,88)(H,74,85)(H,75,91)(H,89,90)/t41-,51-,52-,53+,54-,55+,56+,57-/m1/s1

InChIKey

ZCLBNATZKFCZDL-VFIHPRCOSA-N

Smiles

O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc7ccc1cc7Cl)c6O)c(Cl)c5)NC(=O)[C@H](NC(=O)OCc8ccccc8)c9ccc(O)c(Oc%10cc(O)cc4c%10)c9)c%11ccc(O)c(c%11)c%12c(O)cc(O)cc%12[C@H](NC2=O)C(=O)O