Cas no 168010-10-4 (β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI))

β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI) structure
168010-10-4 structure
Product Name:β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI)
CAS No:168010-10-4
MF:C48H42O14
MW:842.838695049286
CID:198746
PubChem ID:85084613
Update Time:2024-03-01

β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl(9CI)
    • b-D-Glucopyranoside,3-hydroxy-5-[2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl,[2S-[2a,3b(2'S*,3'S*),4(Z)]]-
    • Foeniculoside I
    • CID 101924276
    • β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI)
    • Inchi： 1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-17-27(16-31(53)18-34)40-41-35(19-33(55)21-37(41)61-46(40)24-5-11-29(51)12-6-24)42-39-26(4-1-23-2-9-28(50)10-3-23)15-32(54)20-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+/t38-,40-,42+,43-,44+,45-,46+,47-,48-/m1/s1
    • InChI Key： SZKVNSODIJRAET-AKFYMKAISA-N
    • SMILES： O1C2=CC(=CC(=C2[C@@H](C2C=C(C=C(C=2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)[C@@H]1C1C=CC(=CC=1)O)[C@H]1C2C(/C=C/C3C=CC(=CC=3)O)=CC(=CC=2O[C@@H]1C1C=CC(=CC=1)O)O)O

Computed Properties

  • Exact Mass: 842.257
  • Monoisotopic Mass: 842.257
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 9
  • Complexity: 1460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 239
  • XLogP3: 5.9

Experimental Properties

  • Density: 1.539±0.06 g/cm3(Predicted)
  • pka: 9.24±0.10(Predicted)

β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI) Related Literature

Related Categories

168010-10-4 (β-D-Glucopyranoside, 3-hydroxy-5-[(2S,2'R,3S,3'R)-2,2',3,3'-tetrahydro-6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl][3,4'-bibenzofuran]-3'-yl]phenyl (9CI)) Related Products

Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen