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Substance Name: Cucumechinoside D
RN: 125640-33-7
InChIKey: CEMJJEHGFGIXGV-UHFFFAOYSA-N

Molecular Formula

  • C54-H84-O32-S3

Molecular Weight

  • 1341.42
 
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Names and Synonyms

Results Name

  • Cucumechinoside D

Synonym

  • Cucumechinoside D

Systematic Name

  • Lanost-7-en-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-6-O-sulfo-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)-16,23-dioxo-, gamma-lactone, (3beta)-

Registry Numbers

CAS Registry Number

  • 125640-33-7

System Generated Number

  • 0125640337

Structure Descriptors

InChI

1S/C54H84O32S3/c1-22(2)16-24(55)17-53(8)44-27(56)18-52(7)26-10-11-31-50(4,5)32(13-14-51(31,6)25(26)12-15-54(44,52)49(64)85-53)81-48-43(35(59)30(19-75-48)86-89(71,72)73)84-45-37(61)36(60)40(23(3)78-45)82-47-39(63)42(34(58)29(80-47)21-77-88(68,69)70)83-46-38(62)41(74-9)33(57)28(79-46)20-76-87(65,66)67/h10,22-23,25,28-48,57-63H,11-21H2,1-9H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)

InChIKey

CEMJJEHGFGIXGV-UHFFFAOYSA-N

Smiles

C(OS(=O)(=O)O)[C@@H]1[C@@H](O)[C@@H](OC)[C@@H](O)[C@@H](O1)O[C@@H]1[C@@H]([C@@H](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)=O)C)OS(O)(=O)=O)O)O[C@@H]2C)O)O)O[C@@H]([C@@H]1O)COS(=O)(O)=O)O