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Substance Name: EINECS 308-048-7
RN: 97862-06-1
InChIKey: WWAZPTLTDSMINV-QIDKPHOGSA-N

Molecular Formula

  • C46-H78-N2-O15.C23-H16-O6

Molecular Weight

  • 1287.4946
 
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Names and Synonyms

Results Name

  • EINECS 308-048-7

Synonym

  • EINECS 308-048-7

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97862-06-1

System Generated Number

  • 0097862061

Molecular Formulas

Molecular Formula

  • C46-H78-N2-O15.C23-H16-O6

Molecular Formula Fragments

  • C23-H16-O6
  • C46-H78-N2-O15
  • COMPONENT

Structure Descriptors

InChI

1S/C46H78N2O15.C23H16O6/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38;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/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/b15-14+,18-16+;/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-;/m1./s1

InChIKey

WWAZPTLTDSMINV-QIDKPHOGSA-N

Smiles

CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)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)C.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O