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Substance Name: Loganin
RN: 18524-94-2
UNII: H7WJ16Q93C
InChIKey: AMBQHHVBBHTQBF-UOUCRYGSSA-N

Note

  • In many plants; glycosylation transforms the hemiacetal linkage to an acetal; a precursor to secologanin and TRYPTAMINE; a component of cornel iridoid glycoside.

Molecular Formula

  • C17-H26-O10

Molecular Weight

  • 390.382
 
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Names and Synonyms

Name of Substance

  • Loganin

Synonyms

  • EINECS 242-398-0
  • NSC 606403
  • UNII-H7WJ16Q93C

Systematic Name

  • Methyl (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate

Registry Numbers

CAS Registry Number

  • 18524-94-2

FDA UNII

  • H7WJ16Q93C

System Generated Number

  • 0018524942

Structure Descriptors

InChI

InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1

InChIKey

AMBQHHVBBHTQBF-UOUCRYGSSA-N

Smiles

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@H]13

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.350 (none)   EST
Water Solubility 1.00E+05 mg/L 20 EXP
Atmospheric OH Rate Constant 1.24E-10 cm3/molecule-sec 25 EST

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