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Substance Name: Glycoside J-4
RN: 94921-23-0
InChIKey: MOAREQZIZKPJBU-KUCFUSEXSA-N

Molecular Formula

  • C44-H68-O20-S

Molecular Weight

  • 949.0672
 
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Names and Synonyms

Results Name

  • Glycoside J-4

Synonyms

  • (1beta,3beta)-1-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-sulfo-alpha-L-arabino pyranosyl)oxy)spirosta-5,25(27)-dien-3-yl-beta-D-glucopyranoside
  • Glycoside J-4

Systematic Name

  • beta-D-Glucopyranoside, (1-beta,3-beta)-1-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-sulfo-alpha-L-arabinopyranosyl)oxy)spirosta-5,25(27)-dien-3-yl

Registry Numbers

CAS Registry Number

  • 94921-23-0

System Generated Number

  • 0094921230

Structure Descriptors

InChI

1S/C44H68O20S/c1-18-8-11-44(57-16-18)19(2)30-26(63-44)14-25-23-7-6-21-12-22(59-40-37(52)35(50)32(47)27(15-45)60-40)13-29(43(21,5)24(23)9-10-42(25,30)4)61-41-38(33(48)28(17-56-41)64-65(53,54)55)62-39-36(51)34(49)31(46)20(3)58-39/h6,19-20,22-41,45-52H,1,7-17H2,2-5H3,(H,53,54,55)/t19-,20-,22+,23+,24-,25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-,36+,37+,38+,39-,40+,41-,42-,43-,44+/m0/s1

InChIKey

MOAREQZIZKPJBU-KUCFUSEXSA-N

Smiles

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)OS(=O)(=O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@]19CCC(=C)CO9