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Substance Name: Alloglucotoxigenin
RN: 14155-65-8
InChIKey: QJKATDKDXQSALV-TYXULLFHSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H32-O6

Molecular Weight

  • 404.4998
 
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Names and Synonyms

Results Name

  • Alloglucotoxigenin

Synonyms

  • (3-beta,5-alpha,15-beta)-19-Oxo-3,14,15-trihydroxycard-20(22)-enolide
  • 4-18-00-03148 (Beilstein Handbook Reference)
  • Alloglaucotoxigenin
  • Alloglucotoxigenin
  • BRN 0056373

Systematic Names

  • 5-alpha-Card-20(22)-enolide, 3-beta,14,15-beta-trihydroxy-19-oxo- (8CI)
  • Card-20(22)-enolide, 19-oxo-3,14,15-trihydroxy-, (3-beta,5-alpha,15-beta)-

Registry Numbers

CAS Registry Number

  • 14155-65-8

Other Registry Number

  • 11035-92-0

System Generated Number

  • 0014155658

Structure Descriptors

InChI

1S/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)19(26)10-18(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15-,16-,17+,18+,19+,21+,22+,23+/m0/s1

InChIKey

QJKATDKDXQSALV-TYXULLFHSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@]1([C@@H](C[C@@H]2C4=CC(=O)OC4)O)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 3570ug/kg (3.57mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.