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Substance Name: Partricin A
RN: 76551-64-9
UNII: UHE02PT2JU
InChIKey: PILBMRSRDPAALN-OUXUIHJTSA-N

Molecular Formula

  • C59-H86-N2-O19

Molecular Weight

  • 1127.3234
 
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Names and Synonyms

Name of Substance

  • Partricin A

Synonyms

  • EINECS 278-489-7
  • UNII-UHE02PT2JU

Systematic Name

  • Candicidin D, 40-demethyl-3,7-dideoxo-3,7-dihydroxy-N47-methyl-5-oxo-, cyclic 15,19-hemiacetal

Registry Numbers

CAS Registry Number

  • 76551-64-9

FDA UNII

  • UHE02PT2JU

System Generated Number

  • 0076551649

Structure Descriptors

InChI

1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(60)54(72)37(3)77-58)32-50-52(57(74)75)49(70)34-59(76,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(61-4)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,61-64,66-68,70,72-73,76H,19,24-34,60H2,1-4H3,(H,74,75)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t35?,36?,37-,40?,41?,42?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58+,59?/m0/s1

InChIKey

PILBMRSRDPAALN-OUXUIHJTSA-N

Smiles

CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](N)[C@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2C)O3)C(=O)O