Cas no 88455-07-6 ((3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one)

(3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one structure
88455-07-6 structure
Product Name:(3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
CAS No:88455-07-6
MF:C15H20O4
MW:264.316905021667
CID:1927665
PubChem ID:177178
Update Time:2025-04-21

(3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one Chemical and Physical Properties

Names and Identifiers

    • (3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
    • (3aR,5aR,7R,8R,8aR,9aR)-7,8-dihydroxy-5,8-dimethyl-1-methylidene-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
    • DTXSID80237054
    • Azuleno(6,5-b)furan-2(3H)-one, 3a,4,4a,5,6,7,7a,9a-octahydro-5,6-dihydroxy-5,8-dimethyl-3-methylene-, (3aR-(3aalpha,4aalpha,5alpha,6alpha,7aalpha,9aalpha))-
    • 88455-07-6
    • Inchi： 1S/C15H20O4/c1-7-4-12-10(8(2)14(17)19-12)5-11-9(7)6-13(16)15(11,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3/t9-,10+,11+,12-,13+,15-/m0/s1
    • InChI Key： LSMWBQBJWVZYGS-RUMBQMOCSA-N
    • SMILES： [C@@H]12C[C@@H](O)[C@](O)(C)[C@@H]1C[C@@H]1C(=C)C(=O)O[C@H]1C=C2C

Computed Properties

  • Exact Mass: 264.13615911Da
  • Monoisotopic Mass: 264.13615911Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 481
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.027
  • Topological Polar Surface Area: 66.8?2

(3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one Related Literature

Related Categories

88455-07-6 ((3aR,4aR,5R,6R,7aR,9aR)-5,6-dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one) Related Products

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