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CAS No.: | 24939-17-1 |
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Name: | demethoxycurcumin |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C20H18O5 |
Molecular Weight: | 338.36 |
Synonyms: | Demethoxycurcumin;1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN);4-Hydroxycinnamoyl(feroyl)methane; |
Density: | 1.282 g/cm3 |
Boiling Point: | 571.4 °C at 760 mmHg |
Flash Point: | 205.5 °C |
PSA: | 83.83000 |
LogP: | 3.36130 |
The CAS register number of Demethoxycurcumin is 24939-17-1. It also can be called as 4-Hydroxycinnamoyl(feroyl)methane and the IUPAC name about this chemical is (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione. The molecular formula about this chemical is C20H18O5 and molecular weight is 338.35. This chemical can be isolated from rhizomes of Curcuma longa.
Physical properties about Demethoxycurcumin are: (1)ACD/LogP: 3.15; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 61.83Å2; (6)Index of Refraction: 1.659; (7)Molar Refractivity: 97.36 cm3; (8)Molar Volume: 263.8 cm3; (9)Polarizability: 38.6x10-24cm3; (10)Surface Tension: 56.9 dyne/cm; (11)Enthalpy of Vaporization: 88.86 kJ/mol; (12)Boiling Point: 571.4 °C at 760 mmHg; (13)Vapour Pressure: 1.17E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccc(O)cc1)CC(=O)\C=C\c2cc(OC)c(O)cc2
(2)InChI: InChI=1/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
(3)InChIKey: HJTVQHVGMGKONQ-LUZURFALBK
(4)Std. InChI: InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
(5)Std. InChIKey: HJTVQHVGMGKONQ-LUZURFALSA-N