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Substance Name: 16-Desacetyl-16-anhydroacoschimperoside P
RN: 20819-47-0
InChIKey: UZGHYQNGGUZHSY-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H44-O8

Molecular Weight

  • 532.67
 
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Names and Synonyms

Results Name

  • 16-Desacetyl-16-anhydroacoschimperoside P

Synonym

  • 16-Desacetyl-16-anhydroacoschimperoside P

Systematic Name

  • 5-beta-Carda-16,20(22)-dienolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-

Registry Numbers

CAS Registry Number

  • 20819-47-0

System Generated Number

  • 0020819470

Structure Descriptors

InChI

1S/C30H44O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h9,13,16,18-19,21-22,24-27,32-34H,5-8,10-12,14-15H2,1-4H3

InChIKey

UZGHYQNGGUZHSY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 3560ug/kg (3.56mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.