55912-03-3

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55912-03-3 Structure

Identification	Back Directory
[Name] 4-hydroxyderricin
[CAS] 55912-03-3
[Synonyms] hydroxyderricin 4-hydroxyderricin Derricin Impurity 1 2',4-Dihydroxy-3'-(3-methyl-2-butenyl)-4'-methoxy-trans-chalcone (E)-1-[2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
[Molecular Formula] C21H22O4
[MDL Number] MFCD11040950
[MOL File] 55912-03-3.mol
[Molecular Weight] 338.4

Chemical Properties	Back Directory
[Melting point ] 136.0-137.0 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
[Boiling point ] 542.0±50.0 °C(Predicted)
[density ] 1.181±0.06 g/cm3(Predicted)
[storage temp. ] 4°C, protect from light
[form ] Solid
[pka] 7.83±0.40(Predicted)
[color ] Light yellow to yellow
[InChI] InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
[InChIKey] XDKYBPGIBVMHHB-KPKJPENVSA-N
[SMILES] C(C1=CC=C(OC)C(C/C=C(/C)\C)=C1O)(=O)/C=C/C1=CC=C(O)C=C1
[LogP] 5.840 (est)

Hazard Information	Back Directory
[Definition] ChEBI: 4-Hydroxyderricin is a member of chalcones.

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