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Substance Name: Orienticin C
RN: 112848-47-2
UNII: 604D60A94G
InChIKey: YIFROCWHIYVMGP-HDBBWTQMSA-N

Molecular Formula

  • C73-H90-N10-O26

Molecular Weight

  • 1523.558
 
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Names and Synonyms

Name of Substance

  • Orienticin C

Synonyms

  • A-82846C
  • Antibiotic A-82846C
  • Dechloroeremomycin
  • Orienticin C
  • UNII-604D60A94G
  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-10,19-didechloro-, (4''R)-

Registry Numbers

CAS Registry Number

  • 112848-47-2

FDA UNII

  • 604D60A94G

System Generated Number

  • 0112848472

Structure Descriptors

InChI

1S/C73H90N10O26/c1-28(2)18-40(77-7)64(94)82-54-56(89)31-8-13-36(14-9-31)104-44-20-34-21-45(60(44)109-71-61(58(91)57(90)46(27-84)106-71)108-49-26-73(6,76)63(93)30(4)103-49)105-37-15-10-32(11-16-37)59(107-48-25-72(5,75)62(92)29(3)102-48)55-69(99)81-53(70(100)101)39-22-35(85)23-43(87)50(39)38-19-33(12-17-42(38)86)51(66(96)83-55)80-67(97)52(34)79-65(95)41(24-47(74)88)78-68(54)98/h8-17,19-23,28-30,40-41,46,48-49,51-59,61-63,71,77,84-87,89-93H,18,24-27,75-76H2,1-7H3,(H2,74,88)(H,78,98)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,100,101)/t29-,30-,40+,41-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

InChIKey

YIFROCWHIYVMGP-HDBBWTQMSA-N

Smiles

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(cc3)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)N)Oc8ccc(cc8)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O