(10)-Gingerol

C₂₁H₃₄O₄CAS 23513-15-7350.50 g/mol

Open in Covalent MOL file

Alcohol Ether Ketone Phenol

Properties

Molecular formula: C₂₁H₃₄O₄
Molar mass: 350.50 g/mol
Exact mass: 350.2457 Da
Melting point: 56–58 °C
logP: 4.79Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 14
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation40.9% of notifiers
H319 Causes serious eye irritation40.9% of notifiers
H335 May cause respiratory irritation40.9% of notifiers
H413 May cause long lasting harmful effects to aquatic life59.1% of notifiers

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23513-15-7

SMILES

CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

InChIKey

AIULWNKTYPZYAN-SFHVURJKSA-N

InChI

InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1

Weigh it out

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

Names and synonyms

8 names

[10]-Gingerol
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
(+)-(S)-[10]-Gingerol
(5S)-[10]-Gingerol
(S)-[10]-Gingerol
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one

Work with (10)-Gingerol

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

(8)-Gingerol23513-08-8100 % similar Gingerol23513-14-698 % similar Paradol27113-22-074 % similar Tetrahydrocurcumin36062-04-163 % similar [8]-Shogaol36700-45-558 % similar [10]-Shogaol36752-54-258 % similar (6)-Shogaol555-66-856 % similar 4-Propylguaiacol2785-87-752 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook