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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 15487-11-3
InChIKey: DPKLBEWKXLCUQW-MKFBFMIISA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H44-O10

Molecular Weight

  • 564.668
 
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Names and Synonyms

Synonyms

  • 3-((6-Deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide (3beta,5beta)-
  • BRN 5684614
  • Strophothevoside

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
  • Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 15487-11-3

System Generated Number

  • 0015487113

Structure Descriptors

InChI

1S/C30H44O10/c1-16-23(33)25(37-3)24(34)26(39-16)40-18-4-9-28(15-31)20-5-8-27(2)19(17-12-22(32)38-14-17)7-11-30(27,36)21(20)6-10-29(28,35)13-18/h12,15-16,18-21,23-26,33-36H,4-11,13-14H2,1-3H3/t16?,18-,19+,20?,21?,23+,24?,25?,26-,27+,28-,29-,30-/m0/s1

InChIKey

DPKLBEWKXLCUQW-MKFBFMIISA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@]2(C[C@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@@H](O2)C)OC)O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 103ug/kg (0.103mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.