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Substance Name: Partricin B
RN: 76551-65-0
UNII: 91OJ18975B
InChIKey: NVJUPMZQNWDHTL-MJODAWFJSA-N

Molecular Formula

  • C58-H84-N2-O19

Molecular Weight

  • 1113.2966
 
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Names and Synonyms

Name of Substance

  • Partricin B

Synonyms

  • EINECS 278-490-2
  • UNII-91OJ18975B

Systematic Name

  • Candicidin D, 40-demethyl-3,7-dideoxo-3,7-dihydroxy-5-oxo-, cyclic15,19-hemiacetal

Registry Numbers

CAS Registry Number

  • 76551-65-0

FDA UNII

  • 91OJ18975B

System Generated Number

  • 0076551650

Structure Descriptors

InChI

1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t34?,35?,36-,39?,40?,41?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m0/s1

InChIKey

NVJUPMZQNWDHTL-MJODAWFJSA-N

Smiles

CC(CCC(O)CC(=O)c1ccc(N)cc1)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