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Substance Name: Kibdelin C1
RN: 103549-47-9
InChIKey: KVTBZHRLYBPWNG-UHFFFAOYSA-N

Note

  • From Kibdelosporangium aridum.

Molecular Weight

  • 1803.45
 
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Names and Synonyms

Name of Substance

  • Kibdelin C1

Systematic Name

  • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-

Registry Numbers

CAS Registry Number

  • 103549-47-9

System Generated Number

  • 0103549479

Structure Descriptors

InChI

1S/C83H88Cl4N8O29/c1-31(2)10-8-6-4-5-7-9-11-55(102)89-80-70(108)67(105)42(29-96)82(124-80)123-73-52-23-35-24-53(73)120-72-44(85)20-36(21-45(72)86)66(104)64-79(115)93-62(81(116)117)40-25-37(98)26-51(121-83-71(109)69(107)68(106)54(30-97)122-83)56(40)39-18-32(12-15-46(39)99)59(75(111)95-64)90-76(112)60(35)91-77(113)61-41-27-38(28-48(101)57(41)87)118-50-22-33(13-16-47(50)100)58(88-3)74(110)94-63(78(114)92-61)65(103)34-14-17-49(119-52)43(84)19-34/h12-28,31,42,54,58-71,80,82-83,88,96-101,103-109H,4-11,29-30H2,1-3H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)

InChIKey

KVTBZHRLYBPWNG-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](NC4=O)C(O)=O)O)=O)O)cc2Cl)Cl)c3)O[C@@H]1O[C@@H](NC(=O)CCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]1CO)=O)=O)=O)NC