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Substance Name: 3-Epioleandrigenin
RN: 508-20-3
InChIKey: IWCNCUVTGOMGKG-YBHZWUQGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-O6

Molecular Weight

  • 432.553
 
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Names and Synonyms

Results Name

  • 3-Epioleandrigenin

Synonyms

  • 3-Epioleandrigenin
  • Card-20(22)-enolide, 16-(acetyloxy)-3,14-dihydroxy-, (3-alpha,5-beta,16-beta)-

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-alpha,14,16-beta-trihydroxy-, 16-acetate

Registry Numbers

CAS Registry Number

  • 508-20-3

System Generated Number

  • 0000508203

Structure Descriptors

InChI

1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17-,18?,19?,20+,22+,23+,24-,25+/m1/s1

InChIKey

IWCNCUVTGOMGKG-YBHZWUQGSA-N

Smiles

C1[C@@]2([C@@]([C@H](C3=CC(=O)OC3)[C@H]1OC(C)=O)(CC[C@@H]1[C@@H]2CC[C@H]2[C@@]1(CC[C@H](C2)O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pigeon LDLo parenteral 5785ug/kg (5.785mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.