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Substance Name: Glykenin IV
RN: 134479-76-8
InChIKey: UBCWOWKILIETKQ-NSMKLYECSA-N

Note

  • From a Basidiomycetes sp.

Molecular Formula

  • C46-H82-O21

Molecular Weight

  • 971.1328
 
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Names and Synonyms

Name of Substance

  • Glykenin IV

Synonyms

  • (2S-(2R*,16S*,17R*,21S*))-21-((O-6-O-Acetyl-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-4-O-acetyl-beta-D-xylopyranosyl)oxy)-2,16,17-trihydroxyhexacosanoic acid
  • Glykenin iva
  • Glykenin ivb

Systematic Name

  • Hexacosanoic acid, 21-((O-6-O-acetyl-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-4-O-acetyl-beta-D-xylopyranosyl)oxy)-2,16,17-trihydroxy-, (2S-(2R*,16S*,17R*,21S*))-

Registry Numbers

CAS Registry Number

  • 134479-76-8

System Generated Number

  • 0134479768

Structure Descriptors

InChI

1S/C46H82O21/c1-4-5-15-19-29(20-18-23-31(50)30(49)21-16-13-11-9-7-6-8-10-12-14-17-22-32(51)43(58)59)64-46-42(67-44-39(56)36(53)33(52)24-61-44)41(35(26-62-46)63-28(3)48)66-45-40(57)38(55)37(54)34(65-45)25-60-27(2)47/h29-42,44-46,49-57H,4-26H2,1-3H3,(H,58,59)/t29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39-,40-,41+,42-,44+,45+,46+/m1/s1

InChIKey

UBCWOWKILIETKQ-NSMKLYECSA-N

Smiles

CCCCC[C@H](CCC[C@@H]([C@@H](CCCCCCCCCCCCC[C@@H](C(=O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O