Cas no 147059-46-9 (Rocaglaol)

Rocaglaol structure
Rocaglaol structure
Product Name:Rocaglaol
CAS No:147059-46-9
MF:C26H26O6
MW:434.481048107147
CID:180901
PubChem ID:393602
Update Time:2025-04-19

Rocaglaol Chemical and Physical Properties

Names and Identifiers

    • 8bH-Cyclopenta[b]benzofuran-1,8b-diol,1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-,(1R,3S,3aR,8bS)-
    • Rocaglaol
    • 8bH-Cyclopenta[b]benzofuran-1,8b-diol,1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3...
    • 8bH-Cyclopenta[b]benzofuran-1,8b-diol,1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, [1R-(1a,3b,3ab,8bb)]-
    • Ferrugin
    • Aglaiastatin A
    • [ "Aglaiastatin A", " Ferrugin" ]
    • NSC-695796
    • CHEMBL468454
    • (1R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
    • HY-N1342
    • (1R,3S,3aR,8bS)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1,8b-diol
    • 8bH-Cyclopenta[b]benzofuran-1,8b-diol, 1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, (1R,3S,3aR,8bS)-
    • CS-0016750
    • SCHEMBL750024
    • NSC695796
    • AKOS027323903
    • CCG-261725
    • FS-10391
    • (+/-)-Rocaglaol
    • 147059-46-9
    • DA-57501
    • (2S,3R,5S,6R)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0(2),?]dodeca-1(8),9,11-triene-2,3-diol
    • (1R,3S,3aR,8bS)-1,2,3,3a-Tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-8bH-cyclopenta[b]benzofuran-1,8b-diol (ACI); 8bH-Cyclopenta[b]benzofuran-1,8b-diol, 1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, [1R-(1a,3ss,3ass,8bss)]- (ZCI); Ferrugin; Rocaglaol
    • (1R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-1,8b-diol
    • Inchi: 1S/C26H26O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,23,27-28H,15H2,1-3H3/t20-,23+,25+,26-/m0/s1
    • InChI Key: RRVZOJQBRVGMMK-HCBGRYSISA-N
    • SMILES: O1C2C=C(C=C(C=2[C@@]2([C@@H](C[C@@H](C3C=CC=CC=3)[C@]12C1C=CC(=CC=1)OC)O)O)OC)OC

Computed Properties

  • Exact Mass: 434.17300
  • Monoisotopic Mass: 434.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 644
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 77.4?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 77.38000
  • LogP: 3.73630

Rocaglaol Pricemore >>

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