Hydroxytuberosone

For Research Use Only.
Category
Phenols
Cat.No.
NP4719
CAS
95456-43-2
Product Name
Hydroxytuberosone
Structure

Product Details

Description
Hydroxytuberosone is purified from the roots of Pueraria lobata.
Synonyms
Hydroxytuberosone; 95456-43-2; 1,14-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,15,18-hexaen-17-one
IUPAC Name
1,14-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,15,18-hexaen-17-one
Molecular Weight
354.36
Molecular Formula
C20H18O6
Canonical SMILES
CC1(C=CC2=CC3=C(C=C2O1)OC4C3(COC5=CC(=O)C=CC45O)O)C
InChI
InChI=1S/C20H18O6/c1-18(2)5-3-11-7-13-15(9-14(11)26-18)25-17-19(22)6-4-12(21)8-16(19)24-10-20(13,17)23/h3-9,17,22-23H,10H2,1-2H3/t17-,19?,20+/m1/s1
InChIKey
PDSPTIAGLVOKKO-BPYOIECJSA-N
Boiling Point
603.0±55.0 °C(Predicted)
Melting Point
133 °C
Purity
98.0%
Density
1.51±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
11.75±0.60(Predicted)
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