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Substance Name: Desacetyl-tanghinin
RN: 4589-95-1
InChIKey: LVGNJQMAMYJAIL-FWMNQDIBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-O9

Molecular Weight

  • 548.6686
 
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Names and Synonyms

  • Desacetyl-tanghinin
  • Tanghinin, deacetyl- (8CI)

Registry Numbers

CAS Registry Number

  • 4589-95-1

System Generated Number

  • 0004589951

Structure Descriptors

InChI

1S/C30H44O9/c1-15-23(32)25(35-4)24(33)26(37-15)38-18-5-8-27(2)17(12-18)13-21-30(39-21)20(27)7-9-28(3)19(6-10-29(28,30)34)16-11-22(31)36-14-16/h11,15,17-21,23-26,32-34H,5-10,12-14H2,1-4H3/t15-,17-,18-,19+,20+,21-,23-,24-,25+,26-,27-,28+,29+,30+/m0/s1

InChIKey

LVGNJQMAMYJAIL-FWMNQDIBSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@]46[C@@H](O6)C[C@@H]3C2)O)C7=CC(=O)OC7)C)C)O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 231ug/kg (0.231mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.