Cas no 143183-63-5 (Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-)

Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)- structure
143183-63-5 structure
Product Name:Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-
CAS No:143183-63-5
MF:C36H54O4
MW:550.811571598053
CID:205378
PubChem ID:9963735
Update Time:2025-04-19

Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-
    • 2-hydroxy-6-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione
    • Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-me...
    • Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-
    • adhyperforin
    • (1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione
    • 143183-63-5
    • DTXSID70433341
    • Q4682573
    • CHEBI:177559
    • 4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
    • NS00094786
    • (1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)bicyclo(3.3.1)non-3-ene-2,9-dione
    • Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-pentenyl)-, (1R-(1alpha,5alpha,6beta,7alpha))-
    • EC9K3C78V8
    • UNII-EC9K3C78V8
    • SCHEMBL878771
    • Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
    • CHEMBL536352
    • CHEMBL3581583
    • BDBM50193394
    • BICYCLO(3.3.1)NON-3-ENE-2,9-DIONE, 4-HYDROXY-6-METHYL-1,3,7-TRIS(3-METHYL-2-BUTENYL)-5-(2-METHYL-1-OXOBUTYL)-6-(4-METHYL-3-PENTENYL)-, (1R-(1.ALPHA.,5.ALPHA.,6.BETA.,7.ALPHA.))-
    • Inchi： 1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3
    • InChI Key： MGKCAFQXBAFOSW-UHFFFAOYSA-N
    • SMILES： O=C1C2(C/C=C(/C)\C)C(=C(C/C=C(\C)/C)C(C1(C(C(C)CC)=O)C(C)(CC/C=C(\C)/C)C(C/C=C(\C)/C)C2)=O)O

Computed Properties

  • Exact Mass: 550.40200
  • Monoisotopic Mass: 550.40221020g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 12
  • Complexity: 1160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • Density: 1.005±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (5.0E-6 g/L) (25 oC),
  • PSA: 71.44000
  • LogP: 9.37980

Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)- Related Literature

Related Categories

143183-63-5 (Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-) Related Products

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