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Substance Name: Cucumechinoside E
RN: 125640-34-8
InChIKey: MZXIBNVHFCNVOY-UHFFFAOYSA-N

Molecular Formula

  • C53-H82-O31-S3

Molecular Weight

  • 1311.4
 
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Names and Synonyms

Results Name

  • Cucumechinoside E

Synonym

  • Cucumechinoside E

Systematic Name

  • Lanost-7-en-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-6-O-sulfo-beta-D-glucopyranosyl-(1-3)-O-2-O-sulfo-beta-D-xylopyranosyl-(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

  • 125640-34-8

System Generated Number

  • 0125640348

Structure Descriptors

InChI

1S/C53H82O31S3/c1-22(2)16-24(54)17-52(8)43-27(55)18-51(7)26-10-11-31-49(4,5)32(13-14-50(31,6)25(26)12-15-53(43,51)48(62)82-52)78-46-41(34(58)30(20-74-46)83-86(66,67)68)81-44-36(60)35(59)38(23(3)76-44)79-47-42(84-87(69,70)71)39(28(56)19-73-47)80-45-37(61)40(72-9)33(57)29(77-45)21-75-85(63,64)65/h10,22-23,25,28-47,56-61H,11-21H2,1-9H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)

InChIKey

MZXIBNVHFCNVOY-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)OC[C@@H]1O)OS(=O)(O)=O