Cas no 855746-98-4 (2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one)

2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one structure
855746-98-4 structure
Product Name:2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one
CAS No:855746-98-4
MF:C26H32O7
MW:456.528088569641
CID:2081299
PubChem ID:44563198
Update Time:2024-10-26

2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one Chemical and Physical Properties

Names and Identifiers

    • 2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one
    • 2',4',7-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)-5-methoxyflavanone
    • kurarinol
    • (2S)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(1-methylethenyl)hexyl]-5-methoxy-4H-1-benzopyran-4-one (ACI)
    • 4′′,5′′-Dihydro-5′′-hydroxysophoraflavanone G 5-methyl ether
    • 2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-5-methoxy-2,3-dihydrochromen-4-one
    • 52482-99-2
    • 4'',5''-Dihydro-5''-hydroxysophoraflavanone G 5-methyl ether
    • BDBM50486895
    • DTXSID20966917
    • CHEMBL439760
    • 2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 855746-98-4
    • (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-((R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl)-5-methoxychroman-4-one
    • (2S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
    • GLXC-18739
    • Q27155049
    • HY-122933
    • FS-7789
    • AKOS040760508
    • DTXSID401318587
    • C17444
    • CHEMBL455667
    • CS-0090489
    • BDBM50366788
    • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • CHEBI:81093
    • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-((2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl)-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-((2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-5-methoxy-2,3-dihydrochromen-4-one
    • DA-64798
    • Inchi: 1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-20(29)12-23(32-5)24-21(30)13-22(33-25(18)24)17-7-6-16(27)11-19(17)28/h6-7,11-12,15,22,27-29,31H,1,8-10,13H2,2-5H3/t15-,22+/m1/s1
    • InChI Key: XMUPAAIHKAIUSU-QRQCRPRQSA-N
    • SMILES: C(C1C(O)=CC(OC)=C2C(C[C@@H](C3C=CC(O)=CC=3O)OC=12)=O)[C@H](C(=C)C)CCC(O)(C)C

Computed Properties

  • Exact Mass: 456.21500
  • Monoisotopic Mass: 456.21480336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 692
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 116.45000
  • LogP: 4.80440

2-(2,4-dihydroxy-phenyl)-7-hydroxy-8-[2-(3-hydroxy-3-methyl-butyl)-3-methyl-but-3-enyl]-5-methoxy-chroman-4-one Pricemore >>

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