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Substance Name: Asclepin
RN: 36573-63-4
InChIKey: OXKMZIABKYHLAR-SVDYBJNLSA-N

Note

  • Glycoside from Asclepias curassavica.

Classification Code

  • Natural Product

Molecular Formula

  • C31-H42-O10

Molecular Weight

  • 574.6628
 
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Names and Synonyms

Name of Substance

  • Asclepin

Synonyms

  • 3'-O-Acetylcalotropin
  • Asclepiadin
  • Asclepin
  • BRN 4897521
  • EINECS 253-110-8

Systematic Names

  • (2alpha(2S,3S,4S,6R),3beta,5alpha)-2,3-((4-Acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-14-hydroxy-19-oxocard-20(22)-enolide
  • (2alpha,3beta,5alpha)-3-((3-O-Acetyl-4,6-dideoxy-D-erythro-hexopyranos-2-ulos-1-yl)oxy) card-20(22)-enolide
  • Calotropin, 3'-O-acetyl-

Registry Numbers

CAS Registry Number

  • 36573-63-4

Other Registry Number

  • 1395-13-7

System Generated Number

  • 0036573634

Structure Descriptors

InChI

1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1

InChIKey

OXKMZIABKYHLAR-SVDYBJNLSA-N

Smiles

C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 5mg/kg (5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.
mouse LDLo intraperitoneal 15mg/kg (15mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.
pigeon LDLo intravenous 400ug/kg (0.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.