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Substance Name: Cucumechinoside A
RN: 125640-30-4
InChIKey: FJDWQQMMIQHKST-UHFFFAOYSA-N

Molecular Weight

  • 1261.36
 
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Names and Synonyms

  • Cucumechinoside A

Registry Numbers

CAS Registry Number

  • 125640-30-4

System Generated Number

  • 0125640304

Structure Descriptors

InChI

1S/C54H84O29S2/c1-22(2)16-24(56)17-53(8)44-27(57)18-52(7)26-10-11-31-50(4,5)32(13-14-51(31,6)25(26)12-15-54(44,52)49(65)82-53)78-48-43(35(60)30(20-73-48)83-85(69,70)71)81-45-37(62)36(61)40(23(3)75-45)79-47-39(64)42(34(59)29(77-47)21-74-84(66,67)68)80-46-38(63)41(72-9)33(58)28(19-55)76-46/h10,22-23,25,28-48,55,58-64H,11-21H2,1-9H3,(H,66,67,68)(H,69,70,71)

InChIKey

FJDWQQMMIQHKST-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](O)[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(=O)[C@@H]6[C@@](OC7=O)(C)CC(CC(C)C)=O)C)OS(=O)(O)=O)O)O[C@@H]2C)O)O)[C@@H]([C@@H]([C@@H]([C@@H]1CO)O)OC)O