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Substance Name: beta-Antiarin
RN: 639-13-4
UNII: JI0QAN6VB0
InChIKey: MFIXZHBJWSBQJA-KRRSKSLRSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H42-O11

Molecular Weight

  • 566.6398
 
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Names and Synonyms

Name of Substance

  • beta-Antiarin

Synonyms

  • Antiarigenin + L-rhamnose
  • Antiarigenin + L-rhamnose [German]
  • beta-Antiarin
  • UNII-JI0QAN6VB0

Systematic Name

  • 5-beta-Card-20(22)-enolide, 19-oxo-3-beta-((L-rhamnopyranosyl)oxy)-5,12-beta,14-trihydroxy-

Registry Numbers

CAS Registry Number

  • 639-13-4

FDA UNII

  • JI0QAN6VB0

Other Registry Number

  • 1366-99-0

System Generated Number

  • 0000639134

Structure Descriptors

InChI

1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1

InChIKey

MFIXZHBJWSBQJA-KRRSKSLRSA-N

Smiles

C=1(COC(=O)C1)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(C[C@@H](O[C@@H]5O[C@@H]([C@@H]([C@@H]([C@@H]5O)O)O)C)CC[C@@]4([C@@H]3C[C@@H](O)[C@@]12C)C=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 94ug/kg (0.094mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.