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Substance Name: EINECS 308-046-6
RN: 97862-04-9
InChIKey: BJKLPSFSLQTCGC-MKVIXIQMSA-N

Molecular Formula

  • C43-H74-N2-O14.C23-H16-O6

Molecular Weight

  • 1231.431
 
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Names and Synonyms

Results Name

  • EINECS 308-046-6

Synonym

  • EINECS 308-046-6

Systematic Name

  • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(5S,6R))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 97862-04-9

System Generated Number

  • 0097862049

Molecular Formulas

Molecular Formula

  • C43-H74-N2-O14.C23-H16-O6

Molecular Formula Fragments

  • C23-H16-O6
  • C43-H74-N2-O14
  • COMPONENT

Structure Descriptors

InChI

1S/C43H74N2O14.C23H16O6/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/b13-12+,16-14+;/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-;/m1./s1

InChIKey

BJKLPSFSLQTCGC-MKVIXIQMSA-N

Smiles

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O