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Substance Name: Kibdelin B
RN: 103528-49-0
InChIKey: ZEWPEKFPIQQXCA-UHFFFAOYSA-N

Note

  • From Kibdelosporangium aridum.

Molecular Weight

  • 1789.42
 
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Names and Synonyms

Name of Substance

  • Kibdelin B

Systematic Name

  • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-

Registry Numbers

CAS Registry Number

  • 103528-49-0

System Generated Number

  • 0103528490

Structure Descriptors

InChI

1S/C82H86Cl4N8O29/c1-30(2)9-7-5-4-6-8-10-54(101)88-79-69(107)66(104)41(28-95)81(123-79)122-72-51-22-34-23-52(72)119-71-43(84)19-35(20-44(71)85)65(103)63-78(114)92-61(80(115)116)39-24-36(97)25-50(120-82-70(108)68(106)67(105)53(29-96)121-82)55(39)38-17-31(11-14-45(38)98)58(74(110)94-63)89-75(111)59(34)90-76(112)60-40-26-37(27-47(100)56(40)86)117-49-21-32(12-15-46(49)99)57(87-3)73(109)93-62(77(113)91-60)64(102)33-13-16-48(118-51)42(83)18-33/h11-27,30,41,53,57-70,79,81-82,87,95-100,102-108H,4-10,28-29H2,1-3H3,(H,88,101)(H,89,111)(H,90,112)(H,91,113)(H,92,114)(H,93,109)(H,94,110)(H,115,116)

InChIKey

ZEWPEKFPIQQXCA-UHFFFAOYSA-N

Smiles

c12cc(ccc2O)[C@@H](C(N[C@@H]2C(N[C@@H](c3c(c(cc(c3)O1)O)Cl)C(N[C@@H]1c3cc(Oc4ccc(cc4Cl)[C@@H]2O)c(c(Oc2c(cc([C@@H]([C@@H]4NC([C@@H](NC1=O)c1ccc(c(c1)c1c(cc(cc1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)[C@@H](C(O)=O)NC4=O)O)=O)O)cc2Cl)Cl)c3)O[C@@H]1O[C@@H](NC(=O)CCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]1CO)=O)=O)=O)NC