Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dregeoside B
RN: 126005-93-4
InChIKey: CEJNPQORURWPJT-UHFFFAOYSA-N

Note

  • Isolated from Dregea sinensis.

Molecular Formula

  • C53-H90-O22

Molecular Weight

  • 1079.27
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dregeoside B

Synonyms

  • 12,20-Di-O-isovaleryltomentogenin-3-O-alpha-oleandopyranosyl-(1-4)-alpha-oleandropyranoside
  • 3-((O-beta-D-Glucopyranosyl-(1-4)-O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)pregnane-8,12,14,17,20-pentol 12-(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha,20S)-

Systematic Name

  • Pregnane-8,12,14,17,20-pentol, 3-((O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-, 12-(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha,20S)-

Registry Numbers

CAS Registry Number

  • 126005-93-4

System Generated Number

  • 0126005934

Structure Descriptors

InChI

1S/C53H90O22/c1-24(2)18-36(56)72-35-22-34-49(7)14-13-30(19-29(49)12-15-52(34,62)53(63)17-16-51(61,28(6)55)50(35,53)8)70-37-20-31(64-9)43(25(3)67-37)73-38-21-32(65-10)44(26(4)68-38)74-48-42(60)46(66-11)45(27(5)69-48)75-47-41(59)40(58)39(57)33(23-54)71-47/h24-35,37-48,54-55,57-63H,12-23H2,1-11H3

InChIKey

CEJNPQORURWPJT-UHFFFAOYSA-N

Smiles

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