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Substance Name: Antibiotic A-40926 A0
RN: 110882-82-1
UNII: T8KEU6LJBE
InChIKey: UTUMMENGNWNHJZ-PKPPEPSOSA-N

Molecular Formula

  • C82-H86-Cl2-N8-O29

Molecular Weight

  • 1718.5144
 
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Names and Synonyms

Name of Substance

  • Antibiotic A-40926 A0

Synonyms

  • Antibiotic A-40926 A0
  • Parvodicin B1
  • Ristomycin A aglycone, 5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranuronosyl)-42-o-alpha-D-mannopyranosyl-N15-methyl-
  • UNII-T8KEU6LJBE

Registry Numbers

CAS Registry Number

  • 110882-82-1

FDA UNII

  • T8KEU6LJBE

System Generated Number

  • 0110882821

Structure Descriptors

InChI

1S/C82H86Cl2N8O29/c1-32(2)9-7-5-4-6-8-10-55(98)87-64-67(101)69(103)72(80(113)114)121-81(64)120-71-52-25-37-26-53(71)117-49-20-15-36(23-44(49)83)65(99)63-78(110)91-62(79(111)112)42-27-38(94)28-51(118-82-70(104)68(102)66(100)54(31-93)119-82)56(42)41-22-34(13-18-46(41)95)59(75(107)92-63)88-76(108)60(37)89-77(109)61-43-29-40(30-48(97)57(43)84)116-50-24-35(14-19-47(50)96)58(85-3)74(106)86-45(73(105)90-61)21-33-11-16-39(115-52)17-12-33/h11-20,22-30,32,45,54,58-70,72,81-82,85,93-97,99-104H,4-10,21,31H2,1-3H3,(H,86,106)(H,87,98)(H,88,108)(H,89,109)(H,90,105)(H,91,110)(H,92,107)(H,111,112)(H,113,114)/t45-,54-,58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68+,69+,70+,72+,81-,82+/m1/s1

InChIKey

UTUMMENGNWNHJZ-PKPPEPSOSA-N

Smiles

CC(C)CCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1Cl)O)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(cc1)O3)C(=O)N9)NC)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)C(=O)O)O)O