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Substance Name: Cheiroside A
RN: 17179-38-3
InChIKey: OQZGLOBKVNEEPK-CJRBHMKXSA-N

Molecular Formula

  • C35-H54-O13

Molecular Weight

  • 682.7986
 
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Names and Synonyms

Results Name

  • Cheiroside A

Synonym

  • Cheiroside A

Systematic Name

  • Card-20(22)-enolide, 3-((6-deoxy-4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-14-hydroxy-, (3-beta,5-alpha)-

Registry Numbers

CAS Registry Number

  • 17179-38-3

System Generated Number

  • 0017179383

Structure Descriptors

InChI

1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16-,18+,19+,20-,21+,22-,23-,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+/m1/s1

InChIKey

OQZGLOBKVNEEPK-CJRBHMKXSA-N

Smiles

C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 683ug/kg (0.683mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 420, 1951.