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Substance Name: Cucumechinoside C
RN: 125640-32-6
InChIKey: SUKVYAYIZXRRBY-UHFFFAOYSA-N

Molecular Formula

  • C54-H86-O28-S2

Molecular Weight

  • 1247.38
 
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Names and Synonyms

Results Name

  • Cucumechinoside C

Synonym

  • Cucumechinoside C

Systematic Name

  • Lanost-7-en-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-6-O-sulfo-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-23-oxo-, gamma-lactone, (3beta)-

Registry Numbers

CAS Registry Number

  • 125640-32-6

System Generated Number

  • 0125640326

Structure Descriptors

InChI

1S/C54H86O28S2/c1-23(2)18-25(56)19-53(8)32-13-16-52(7)27-10-11-31-50(4,5)33(14-15-51(31,6)26(27)12-17-54(32,52)49(64)81-53)77-48-44(36(59)30(21-72-48)82-84(68,69)70)80-45-38(61)37(60)41(24(3)74-45)78-47-40(63)43(35(58)29(76-47)22-73-83(65,66)67)79-46-39(62)42(71-9)34(57)28(20-55)75-46/h10,23-24,26,28-48,55,57-63H,11-22H2,1-9H3,(H,65,66,67)(H,68,69,70)

InChIKey

SUKVYAYIZXRRBY-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@@H]2O)COS(O)(=O)=O)O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@@H]3[C@@H]([C@@H](CO[C@@H]3O[C@@H]3CC[C@@]4([C@@H]5CC[C@@]67[C@@](C5=CC[C@@H]4C3(C)C)(C)CC[C@@H]6[C@@](OC7=O)(C)CC(CC(C)C)=O)C)OS(=O)(O)=O)O)O[C@@H]2C)O)O)O)[C@@H]([C@@H]([C@@H]([C@@H]1CO)O)OC)O