Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

c1ccc(cc1)COC(=O)N[C@@H]2c3ccc(c(c3)Oc4cc(cc(c4)O)[C@H]5C(=O)N[C@@H]6c7cc(c(c(c7)Oc8ccc(cc8Cl)[C@H]([C@H]9C(=O)N[C@@H](c1cc(cc(c1-c1cc(ccc1O)[C@H](C(=O)N9)NC6=O)O)O)C(=O)O)O)O)Oc1ccc(cc1Cl)C[C@H](C(=O)N5)NC2=O)O