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Substance Name: Dinactin
RN: 20261-85-2
UNII: BEN4Q6B74Y
InChIKey: ZBDGIMZKOJALMU-MVWQHRGOSA-N

Note

  • A macrotetrolide.

Molecular Formula

  • C42-H68-O12

Molecular Weight

  • 764.987
 
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Names and Synonyms

Name of Substance

  • Dinactin

Synonyms

  • Akd-1C
  • Antibiotic 170t
  • Dinactin
  • NSC 63925
  • UNII-BEN4Q6B74Y
  • Upjohn 170T (low melting)

Systematic Names

  • 4,13,22,31,37,38,39,40-Octaoxapentacyclo(32.2.1.17,10.116,19.125,28)tetracontane-3,12,21,30-tetrone, 5,23-diethyl-2,11,14,20,29,32-hexamethyl- (VAN) (8CI)
  • Nonactin, 5,23-didemethyl-5,23-diethyl-

Registry Numbers

CAS Registry Number

  • 20261-85-2

FDA UNII

  • BEN4Q6B74Y

System Generated Number

  • 0020261852

Structure Descriptors

InChI

1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-/m1/s1

InChIKey

ZBDGIMZKOJALMU-MVWQHRGOSA-N

Smiles

C1(O[C@@H](C[C@H]2O[C@H](CC2)[C@H](C)C(O[C@H](C[C@@H]2O[C@@H](CC2)[C@H](C)C(=O)O[C@@H](C[C@H]2O[C@@H]([C@H](C)C(=O)O[C@H](C[C@@H]3O[C@H]([C@@H]1C)CC3)CC)CC2)C)CC)=O)C)=O