Cas no 129741-56-6 (Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester)

Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester structure
129741-56-6 structure
Product Name:Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester
CAS No:129741-56-6
MF:C24H30O6
MW:414.491407871246
CID:173958
PubChem ID:164279
Update Time:2025-04-19

Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester
    • (3-formyl-4a-hydroxy-6,6,7b-trimethyl-1,2,2a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
    • Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-o...
    • Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trim
    • (2R,2aR,4aR,7aR,7bS)-3-formyl-4a-hydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
    • Armillaripin
    • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester
    • [(2R,2aR,4aR,7aR,7bS)-3-formyl-4a-hydroxy-6,6,7b-trimethyl-1,2,2a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
    • DTXSID60926479
    • 3-Formyl-4a-hydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
    • 129741-56-6
    • Inchi： 1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1
    • InChI Key： BGKXQRPQNIXIMH-MEVKZITKSA-N
    • SMILES： O[C@]12C=C(C=O)[C@@H]3[C@@H](C[C@]3(C)[C@H]1CC(C)(C)C2)OC(C1C(=CC(=CC=1C)OC)O)=O

Computed Properties

  • Exact Mass: 414.204239
  • Monoisotopic Mass: 414.204239
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 759
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 93.1
  • XLogP3: 3.9

Experimental Properties

  • Density: 1.28
  • Boiling Point: 558.1°Cat760mmHg
  • Flash Point: 187.6°C
  • Refractive Index: 1.599

Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester Related Literature

Related Categories

129741-56-6 (Benzoic acid,2-hydroxy-4-methoxy-6-methyl-,(2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester) Related Products

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