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Substance Name: Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, (9(5S,6R))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt)
RN: 97862-05-0
InChIKey: XVCWSQMFQKBKCI-GXQIOXFJSA-N

Molecular Formula

  • C45-H76-N2-O15.C23-H16-O6

Molecular Weight

  • 1273.4678
 
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Names and Synonyms

Synonym

  • EINECS 308-047-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97862-05-0

System Generated Number

  • 0097862050

Molecular Formulas

Molecular Formula

  • C45-H76-N2-O15.C23-H16-O6

Molecular Formula Fragments

  • C23-H16-O6
  • C45-H76-N2-O15
  • COMPONENT

Structure Descriptors

InChI

1S/C45H76N2O15.C23H16O6/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36;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/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/b14-13+,17-15+;/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-;/m1./s1

InChIKey

XVCWSQMFQKBKCI-GXQIOXFJSA-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)OC(=O)C)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