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Substance Name: FR-008III
RN: 137397-23-0
UNII: 179XEW0XN8
InChIKey: CGJZCTIQCVHKDR-DJRINGICSA-N

Molecular Formula

  • C59-H84-N2-O17

Molecular Weight

  • 1093.3096
 
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Names and Synonyms

Name of Substance

  • FR-008III

Synonyms

  • Candicidin D, cyclic 15,19-hemiacetal
  • FR-008III
  • UNII-179XEW0XN8

Registry Numbers

CAS Registry Number

  • 137397-23-0

FDA UNII

  • 179XEW0XN8

System Generated Number

  • 0137397230

Structure Descriptors

InChI

1S/C59H84N2O17/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-59-56(72)54(61)55(71)38(4)75-59)33-51-53(58(73)74)50(69)32-47(76-51)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)31-52(70)78-57(35)37(3)26-36(2)48(67)34-49(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-48,50-51,53-57,59,64-67,69,71-72H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36-,37-,38+,43-,44-,45-,46-,47?,48-,50-,51-,53-,54-,55+,56-,57-,59-/m0/s1

InChIKey

CGJZCTIQCVHKDR-DJRINGICSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]\2C[C@H]3[C@H]([C@H](CC(O3)C[C@H](C[C@H](C[C@H](CC(=O)CCCC(=O)CC(=O)O[C@@H](C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)[C@@H](C)C[C@H](C)[C@H](CC(=O)c4ccc(cc4)N)O)O)O)O)O)C(=O)O)O)N)O