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Substance Name: Beaumontoside
RN: 31087-87-3
InChIKey: YBZZSZQZDODUAA-APJQWBIYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H46-O7

Molecular Weight

  • 518.6864
 
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Names and Synonyms

Results Name

  • Beaumontoside

Synonym

  • Beaumontoside

Systematic Name

  • Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 31087-87-3

System Generated Number

  • 0031087873

Structure Descriptors

InChI

1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,24-,26-,27-,28-,29+,30-/m0/s1

InChIKey

YBZZSZQZDODUAA-APJQWBIYSA-N

Smiles

CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 173ug/kg (0.173mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.37 (none)   EXP
Water Solubility 6.330 mg/L 25 EST
Vapor Pressure 6.90E-17 mm Hg 25 EST
Henry's Law Constant 6.53E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

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