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4H,6H,11H-Pyrano[4'',3'':5',6']naphtho[1',2':3,4]furo[3,2-c]pyran-4,11-dione,9-(3-furanyl)-1,2a,3,6b,7,8,8a,9,12b,13,14,14a-dodecahydro-13-hydroxy-1,1,8a,12b-tetramethyl-,(2aS,6aR,6bS,8aR,9R,12bR,13R,14aR)- | 83991-64-4

Product name:4H,6H,11H-Pyrano[4'',3'':5',6']naphtho[1',2':3,4]furo[3,2-c]pyran-4,11-dione,9-(3-furanyl)-1,2a,3,6b,7,8,8a,9,12b,13,14,14a-dodecahydro-13-hydroxy-1,1,8a,12b-tetramethyl-,(2aS,6aR,6bS,8aR,9R,12bR,13R,14aR)-

CAS No:83991-64-4
MF:C26H32O7
MW:456.528088569641
CID:722049
PubChem ID:196266
Names and Identifiers
  • 4H,6H,11H-Pyrano[4'',3'':5',6']naphtho[1',2':3,4]furo[3,2-c]pyran-4,11-dione,9-(3-furanyl)-1,2a,3,6b,7,8,8a,9,12b,13,14,14a-dodecahydro-13-hydroxy-1,1,8a,12b-tetramethyl-,(2aS,6aR,6bS,8aR,9R,12bR,13R,14aR)-
  • 4H,6H,11H-Pyrano[4'',3'':5',6']naphtho[1',2':3,4]furo[3,2-c]pyran-4,11-dione,9-(3-furanyl)-1,2a,3,6b,7,8,8a,9,12b,13,14,14a-d
  • 4H,6H,11H-Pyrano[4'',3'':5',6']naphtho[1',2':3,4]furo[3,2-c]pyran-4,11-dione,9-(3-furanyl)-1,2a,3,6b,7,8,8a,9,12b,13,14,14a-dodecahydro-13-hydroxy-1,1,8a,12b-tetramethyl-,(2aS,6aR,6bS,8aR,9R,12bR,13R,
  • deoxylimonol
  • 83991-64-4
  • (1S,7S,10R,12R,13R,18R,19R)-18-(furan-3-yl)-12-hydroxy-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,16-dione
  • Deoxylimonol
  • Limonol, deoxy-
  • DTXSID101004252
  • Deoxy-alpha-limonol
  • 1-(Furan-3-yl)-5-hydroxy-4b,7,7,14a-tetramethyl-1,4b,5,6,6a,7,8a,9,12b,13,14,14a-dodecahydro-3H,10H,12H-pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[2,1-c]pyran-3,10-dione
  • Limonoic acid, 14,15-deepoxy-14,15-didehydro-7-deoxo-7-hydroxy-, 3,19:16,17-dilactone, (7alpha)-
  • InChIKey:VNNZUOXOSGRYOD-DRHORCJJSA-N
  • Inchi:InChI=1S/C26H32O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,18-19,22,27H,5,7,9,11,13H2,1-4H3/t15-,16-,18+,19-,22-,24+,25-,26+/m0/s1
  • SMILES:C[C@](C([C@@]1(C)[C@H](O)C[C@H]2C(C)(C)O[C@@H]3[C@@]24COC(C3)=O)=C5)(CC[C@H]41)[C@H](c6ccoc6)OC5=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 456.21480336g/mol
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 456.21480336g/mol
  • Heavy Atom Count: 33
  • Complexity: 926
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.5
  • Topological Polar Surface Area: 95.2Ų

Experimental Properties

  • Color/Form: Solid powder
Security Information
  • Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
  • Signal Word:Warning
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