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Substance Name: Strophanthidin 3-benzoate
RN: 37811-84-0
InChIKey: MDJKDJJYSDHBSV-HSEJSDLCSA-N

Molecular Formula

  • C30-H36-O7

Molecular Weight

  • 508.607
 
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Names and Synonyms

Results Name

  • Strophanthidin 3-benzoate

Synonyms

  • (3-beta,5-beta)-3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • 4-18-00-03133 (Beilstein Handbook Reference)
  • BRN 0069333
  • Strophanthidin 3-benzoate

Systematic Name

  • Card-20(22)-enolide, 3-(benzoyloxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 37811-84-0

System Generated Number

  • 0037811840

Structure Descriptors

InChI

1S/C30H36O7/c1-27-11-8-23-24(30(27,35)14-10-22(27)20-15-25(32)36-17-20)9-13-29(34)16-21(7-12-28(23,29)18-31)37-26(33)19-5-3-2-4-6-19/h2-6,15,18,21-24,34-35H,7-14,16-17H2,1H3/t21-,22?,23?,24?,27+,28-,29-,30-/m0/s1

InChIKey

MDJKDJJYSDHBSV-HSEJSDLCSA-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](OC(c2ccccc2)=O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 2717ug/kg (2.717mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 53, Pg. 198, 1943.