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Substance Name: alpha-Antiarin
RN: 23605-05-2
UNII: VPM8C16434
InChIKey: MFIXZHBJWSBQJA-OZQKXHGLSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H42-O11

Molecular Weight

  • 566.6398
 
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Names and Synonyms

Results Name

  • alpha-Antiarin

Name of Substance

  • alpha-Antiarin

Synonyms

  • 3-((6-Deoxy-beta-D-glucopyranosyl)oxy)-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
  • alpha-Antiarin
  • Antiarigenin + D-gulomethylose
  • Antiarigenin + D-gulomethylose [German]
  • UNII-VPM8C16434

Systematic Name

  • Card-20(22)-enolide, 3-((6-deoxy-beta-D-glucopyranosyl)oxy)-5,12,14-trihydroxy-19-oxo-,(3-beta,5-beta,12-beta)-

Registry Numbers

CAS Registry Number

  • 23605-05-2

FDA UNII

  • VPM8C16434

Other Registry Numbers

  • 1366-98-9
  • 53682-14-7
  • 744951-76-6
  • 904824-14-2
  • 908578-40-5

System Generated Number

  • 0023605052

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+/m1/s1

InChIKey

MFIXZHBJWSBQJA-OZQKXHGLSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 96ug/kg (0.096mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.320 (none)   EST
Atmospheric OH Rate Constant 1.78E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.