Cas no 152511-46-1 (4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol)

4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol structure
152511-46-1 structure
Product Name:4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
CAS No:152511-46-1
MF:C26H32O5
MW:424.529288291931
CID:1326191
PubChem ID:78190881
Update Time:2025-04-20

4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol Chemical and Physical Properties

Names and Identifiers

    • 4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • 4-((R)-5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo(1,2-b:5,4-b')dipyran-3-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol
    • 4-((R)-5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol
    • 4-[(7R)-5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • CHEBI:176062
    • 4-(5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • DTXSID30934526
    • 152511-46-1
    • Kanzonol H
    • (3R)-2',4'-Dihydroxy-5-methoxy-6'',6''-dimethyl-3'-prenyl-4'',5''-dihydroxypyrano[2'',3'':7,6]isoflavan
    • Inchi： 1S/C26H32O5/c1-15(2)6-7-18-21(27)9-8-17(24(18)28)16-12-20-22(30-14-16)13-23-19(25(20)29-5)10-11-26(3,4)31-23/h6,8-9,13,16,27-28H,7,10-12,14H2,1-5H3/t16-/m0/s1
    • InChI Key： JRVDUBFSQWHYRJ-INIZCTEOSA-N
    • SMILES： O1C2C=C3C(=C(C=2CCC1(C)C)OC)C[C@H](C1C=CC(=C(C/C=C(\C)/C)C=1O)O)CO3

Computed Properties

  • Exact Mass: 424.22506
  • Monoisotopic Mass: 424.22497412g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 642
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 68.2?2

Experimental Properties

  • PSA: 68.15

4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol Related Literature

Related Categories

152511-46-1 (4-[(3R)-5-methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol) Related Products

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