Molecular Structure of (10)-Gingerol (CAS NO.23513-15-7):
IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Empirical Formula: C21H34O4
Molecular Weight: 350.4923
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 16
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.512
Molar Refractivity: 101.47 cm3
Molar Volume: 337.7 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.037 g/cm3
Flash Point: 166.3 °C
Enthalpy of Vaporization: 80.89 kJ/mol
Boiling Point: 499.7 °C at 760 mmHg
Vapour Pressure: 8.35E-11 mmHg at 25°C
InChI
InChI=1/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
Smiles
C(CC(C[C@H](CCCCCCCCC)O)=O)c1cc(c(cc1)O)OC
Product Categories: Miscellaneous Natural Products; The group of Ginerols
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 100mg/kg (100mg/kg) | Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 25, Pg. 231, 1990. |
(10)-Gingerol , with CAS number of 23513-15-7, can be called 3-Tetradecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)- (8CI) ; (+)-(S)-[10]-Gingerol .
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