cis-Vitisin B

For Research Use Only.
Category
Phenols
Cat.No.
NP5313
CAS
142507-86-6
Product Name
cis-Vitisin B
Structure

Product Details

Description
cis-Vitisin B is a natural product found in Vitis vinifera and Vitis coignetiae (Vitaceae).
Synonyms
1,3-Benzenediol, 5-[(2R,2'S,3R,3'S)-5-[(1Z)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2',3,3'-tetrahydro-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)[3,4'-bibenzofuran]-3'-yl]-; 1,3-Benzenediol, 5-[5-[2-[3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2',3,3'-tetrahydro-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)[3,4'-bibenzofuran]-3'-yl]-, [2R-[2α,3β(2'S*,3'S*),5[Z(2S*,3S*)]]]-; 5-[(2R,2'S,3R,3'S)-5-[(1Z)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2',3,3'-tetrahydro-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)[3,4'-bibenzofuran]-3'-yl]-1,3-benzenediol; (-)-cis-Vitisin B; Z-Vitisin B
IUPAC Name
5-[(2S,3S)-4-[(Z)-2-[(2R,3R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Molecular Weight
906.93
Molecular Formula
C56H42O12
Canonical SMILES
C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O
InChI
InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1-/t50-,51-,52-,54+,55+,56-/m0/s1
InChIKey
WZKKRZSJTLGPHH-PORLPBCUSA-N
Purity
≥95%
Density
1.501±0.06 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
Appearance
Yellow Powder
Storage
Store at -20°C
Color
Yellow
Form
Powder
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