chempirical

8-Epideoxyloganic acid

C16H24O9CAS 88668-99-9360.36 g/mol

Open in Covalent MOL file
OOOHOOHOOHOHHO
AcetalAlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C16H24O9
Molar mass
360.36 g/mol
Exact mass
360.1420 Da
logP
-1.21Crippen estimate
Polar surface area
145.9 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
4
Stereocentres
R, S, R, S, S, R, S, S, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
88668-99-9
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKey
DSXFHNSGLYXPNG-PKUPRILXSA-N
InChI
InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 8-Epideoxyloganic 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

Loganic acid22255-40-969 % similar Geniposidic acid27741-01-162 % similar Verbenalin548-37-855 % similar Monotropein5945-50-655 % similar Morroniside25406-64-855 % similar Loganin18524-94-252 % similar 7-O-Ethyl-morroniside945721-10-849 % similar (-)-Sweroside14215-86-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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