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Substance Name: 16-Deacetyloleandrin
RN: 36190-93-9
UNII: EBI62AI90G
InChIKey: ROKXRURUBUVHBD-QSHOECCGSA-N

Molecular Formula

  • C30-H46-O8

Molecular Weight

  • 534.6854
 
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Names and Synonyms

Results Name

  • 16-Deacetyloleandrin

Name of Substance

  • Desacetyloleandrin

Synonyms

  • 16-Deacetyloleandrin
  • 16-Desacetyloleandrin
  • Deacetyl oleandrin
  • Oleandrin, 16-deacetyl- (6CI)
  • UNII-EBI62AI90G

Systematic Names

  • Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14,16-dihydroxy-, (3-beta,5-beta,16-beta)-
  • Oleandrin, deacetyl- (7CI)

Registry Numbers

CAS Registry Number

  • 36190-93-9

FDA UNII

  • EBI62AI90G

System Generated Number

  • 0036190939

Structure Descriptors

InChI

1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-20(28)8-10-29(3)26(17-11-24(32)36-15-17)22(31)14-30(21,29)34/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20-,21+,22-,23-,25-,26-,27-,28-,29+,30-/m0/s1

InChIKey

ROKXRURUBUVHBD-QSHOECCGSA-N

Smiles

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 300ug/kg (0.3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 7, Pg. 634, 1959.
frog LD50 intravenous 288mg/kg (288mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 60, Pg. 218, 1964.