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Substance Name: Mepartricin B
RN: 62534-69-4
UNII: 21G4VMN6C9
InChIKey: GIDIUOCSTCGLRW-OUXUIHJTSA-N

Molecular Formula

  • C59-H86-N2-O19

Molecular Weight

  • 1127.3234
 
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Names and Synonyms

Name of Substance

  • Mepartricin B

Synonyms

  • EINECS 263-585-3
  • UNII-21G4VMN6C9

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62534-69-4

FDA UNII

  • 21G4VMN6C9

System Generated Number

  • 0062534694

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(61)54(72)37(3)77-58)32-50-52(57(74)76-4)49(70)34-59(75,80-50)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(60)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,62-64,66-68,70,72-73,75H,19,24-34,60-61H2,1-4H3/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

GIDIUOCSTCGLRW-OUXUIHJTSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)c4ccc(cc4)N)O)O)O)O)O)O)O)O)C(=O)OC)O)N)O