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Substance Name: Dotriacolide
RN: 80994-06-5
InChIKey: YIIKXRWDWWBASM-FSRJSHLRSA-N

Note

  • From Micromonospora echinospora.

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • beta-Lactamase Inhibitors
  • Enzyme Inhibitors

Molecular Weight

  • 973.2864
 
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Names and Synonyms

Name of Substance

  • Dotriacolide

Systematic Name

  • Oxacyclodotriacont-3-en-2-one, 16,18,30-tris(sulfooxy)-32-(8-(sulfooxy)nonyl)-

Registry Numbers

CAS Registry Number

  • 80994-06-5

System Generated Number

  • 0080994065

Structure Descriptors

InChI

1S/C40H76O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b32-26-

InChIKey

YIIKXRWDWWBASM-FSRJSHLRSA-N

Smiles

CC(CCCCCCCC1CC(CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C\C(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O