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Substance Name: Lew 7S1
RN: 123580-52-9
InChIKey: UDLSEZCIHQODAV-ONKUBEFNSA-N

Molecular Formula

  • C44-H54-N2-O19.1/2C4-H6-O6

Molecular Weight

  • 1979.8966
 
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Names and Synonyms

Name of Substance

  • Lew 7S1

Synonym

  • Lew 7-S1

Systematic Name

  • Piperazine, 1-((5-(7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenoxy)acetyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioic acid (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 123580-52-9

System Generated Number

  • 0123580529

Molecular Formulas

Molecular Formula

  • C44-H54-N2-O19.1/2C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C44-H54-N2-O19
  • COMPONENT

Structure Descriptors

InChI

1S/2C44H54N2O19.C4H6O6/c2*1-21-35(50)37(52)39(54)43(62-21)61-19-32-36(51)38(53)40(55)44(65-32)63-24-15-25(47)34-26(48)17-29(64-31(34)16-24)22-6-8-27(56-2)30(14-22)60-20-33(49)46-12-10-45(11-13-46)18-23-7-9-28(57-3)42(59-5)41(23)58-4;5-1(3(7)8)2(6)4(9)10/h2*6-9,14-17,21,32,35-40,43-44,47,50-55H,10-13,18-20H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,32+,35-,36+,37+,38-,39+,40+,43+,44+;1-,2-/m001/s1

InChIKey

UDLSEZCIHQODAV-ONKUBEFNSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)OCC(=O)N6CCN(CC6)Cc7ccc(c(c7OC)OC)OC)OC)O)O)O)O)O)O)O.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)OCC(=O)N6CCN(CC6)Cc7ccc(c(c7OC)OC)OC)OC)O)O)O)O)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O