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Substance Name: Desgluco-hellebrol
RN: 63977-36-6
InChIKey: NJGJKFPZKLQFIU-MTUTWWBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-O10

Molecular Weight

  • 564.668
 
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Names and Synonyms

  • Bufa-20,22-dienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14,19-trihydroxy-, (3beta,5beta)-
  • Desgluco-hellebrol

Registry Numbers

CAS Registry Number

  • 63977-36-6

System Generated Number

  • 0063977366

Structure Descriptors

InChI

1S/C30H44O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14,16,18-21,23-26,31,33-37H,5-13,15H2,1-2H3/t16-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1

InChIKey

NJGJKFPZKLQFIU-MTUTWWBMSA-N

Smiles

C1[C@@]2([C@H](CC[C@@]2([C@H]2[C@H](C1)[C@@]1([C@@](C[C@H](CC1)O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)(CC2)O)CO)O)c1coc(cc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 92ug/kg (0.092mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.