Loganic acid

C16H24O10CAS 22255-40-9376.36 g/mol

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OOOHOHOHHOOOOHHO
AcetalAlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C16H24O10
Molar mass
376.36 g/mol
Exact mass
376.1369 Da
logP
-2.24Crippen estimate
Polar surface area
166.1 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
4
Stereocentres
R, S, S, S, R, S, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
22255-40-9
SMILES
C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O
InChIKey
JNNGEAWILNVFFD-CDJYTOATSA-N
InChI
InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1

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Names and synonyms

5 names
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, (1S,4aS,6S,7R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1α-(β-D-glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6α-hydroxy-7α-methyl-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, [1S-(1α,4aα,6α,7α,7aα)]-
  • (1S,4aS,6S,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid
  • Loganin acid

Work with Loganic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Loganin18524-94-276 % similar 8-Epideoxyloganic acid88668-99-969 % similar Geniposidic acid27741-01-160 % similar Morroniside25406-64-855 % similar Monotropein5945-50-651 % similar 7-O-Ethyl-morroniside945721-10-851 % similar Sylvestroside I71431-22-651 % similar Verbenalin548-37-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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