Cas no 76472-87-2 (Kuwanon H)

Kuwanon H structure
Kuwanon H structure
Product Name:Kuwanon H
CAS No:76472-87-2
MF:C45H44O11
MW:760.8243
CID:982690
PubChem ID:5281668
Update Time:2024-10-27

Kuwanon H Chemical and Physical Properties

Names and Identifiers

    • kuwanon H
    • Albanin G
    • kuwanone H
    • Alvanin G
    • NSC 356889
    • 8-[(5R,6S)-6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-
    • SCHEMBL13233442
    • FT-0775832
    • moracenin a
    • 76472-87-2
    • AKOS037515236
    • 4H-1-Benzopyran-4-one, 8-(6-(2,4-dihydroxy-3-(3-methyl-2-butenyl )benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1S-(1alpha,5alpha,6beta))-
    • 8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-1-cyclohex-2-enyl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • KuwanonH
    • 8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • MS-31352
    • DTXSID301318627
    • HY-N2600
    • CHEBI:6147
    • 2-(2,4-BIS(OXIDANYL)PHENYL)-8-((1S,5S,6R)-5-(2,4-BIS(OXIDANYL)PHENYL)-3-METHYL-6-(3-(3-METHYLBUT-2-ENYL)-2,4-BIS(OXIDANYL)PHENYL)CARBONYL-CYCLOHEX-2-EN-1-YL)-3-(3-METHYLBUT-2-ENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONE
    • 4H-1-Benzopyran-4-one, 8-[6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, [1S-(1alpha,5alpha,6beta)]-
    • 8-((1R,2S,3S)-2-(2,4-Dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • SCHEMBL150578
    • CHEMBL506234
    • 4H-1-Benzopyran-4-one, 8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-
    • 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
    • 822Q5M4B5D
    • CS-0023002
    • 8-{(1R,2S,3S)-2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-2',4'-dihydroxy-5-methyl[1,2,3,6-tetrahydro[1,1'-biphenyl]]-3-yl}-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • kumanon H
    • NSC-356889
    • GTPL622
    • DA-74840
    • Kuwanon H
    • Inchi: 1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32?,38-/m0/s1
    • InChI Key: DKBPTKFKCCNXNH-WKKWFPBQSA-N
    • SMILES: O=C(C1C([H])=C([H])C(=C(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])C=1O[H])O[H])[C@]1([H])C([H])(C2=C(C([H])=C(C3C(C(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])=C(C4C([H])=C([H])C(=C([H])C=4O[H])O[H])OC2=3)=O)O[H])O[H])C([H])=C(C([H])([H])[H])C([H])([H])[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1O[H])O[H]

Computed Properties

  • Exact Mass: 760.28800
  • Monoisotopic Mass: 760.28836222 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 9
  • Complexity: 1560
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 205
  • Molecular Weight: 760.8
  • XLogP3: 9.2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.371±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (3.5E-6 g/L) (25 oC),
  • PSA: 209.12000
  • LogP: 8.83870

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