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Substance Name: Beauwalloside
RN: 31087-94-2
InChIKey: JLPDBLFIVFSOCC-NHZSRKBRSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H48-O9

Molecular Weight

  • 576.7222
 
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Names and Synonyms

Results Name

  • Beauwalloside

Synonym

  • Beauwalloside

Systematic Name

  • Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-

Registry Numbers

CAS Registry Number

  • 31087-94-2

System Generated Number

  • 0031087942

Structure Descriptors

InChI

1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24+,25-,27-,28-,29-,30-,31+,32-/m0/s1

InChIKey

JLPDBLFIVFSOCC-NHZSRKBRSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](C[C@@H]1O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H](C5=CC(OC5)=O)[C@@H](C[C@@]4(O)[C@@H]3CC[C@@H]2C1)OC(C)=O)C)C)OC)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 200ug/kg (0.2mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.