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Substance Name: Cucumechinoside F
RN: 125640-35-9
InChIKey: XAZBKSDGZOMATA-UHFFFAOYSA-N

Molecular Formula

  • C54-H86-O31-S3

Molecular Weight

  • 1327.44
 
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Names and Synonyms

Results Name

  • Cucumechinoside F

Synonym

  • Cucumechinoside F

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)-23-oxo-, gamma-lactone, (3beta)-

Registry Numbers

CAS Registry Number

  • 125640-35-9

System Generated Number

  • 0125640359

Structure Descriptors

InChI

1S/C54H86O31S3/c1-23(2)18-25(55)19-53(8)32-13-16-52(7)28-10-11-31-50(4,5)33(14-15-51(31,6)27(28)12-17-54(32,52)49(63)84-53)79-48-43(35(57)30(21-74-48)85-88(70,71)72)82-46-37(59)36(58)40(24(3)77-46)80-45-26(20-75-86(64,65)66)41(38(60)44(62)83-45)81-47-39(61)42(73-9)34(56)29(78-47)22-76-87(67,68)69/h10,23-24,26-27,29-48,56-62H,11-22H2,1-9H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)

InChIKey

XAZBKSDGZOMATA-UHFFFAOYSA-N

Smiles

OS(=O)(=O)OC[C@@H]1[C@@H](O)[C@@H](OC)[C@@H](O)[C@@H](O1)O[C@@H]1[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]([C@@H]1O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1C)O[C@@H]1[C@@H](OC[C@@H](OS(O)(=O)=O)[C@@H]1O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]45[C@@](C3=CC[C@@H]2C1(C)C)(C)CC[C@@H]4[C@@](OC5=O)(C)CC(CC(C)C)=O)C)O)O