Cas no 76225-44-0 ((3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione)

(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione structure
76225-44-0 structure
Product Name:(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione
CAS No:76225-44-0
MF:C18H22O3
MW:286.365485668182
CID:1778833
PubChem ID:156853
Update Time:2025-04-21

(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione Chemical and Physical Properties

Names and Identifiers

    • (3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione
    • 3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione
    • 76225-44-0
    • Ro 14 9012
    • 3a,6-Dimethyl-1,2,8,9,9a,9b-hexahydrospiro[cyclopenta[a]naphthalene-3,2'-oxolane]-5',7(3aH)-dione
    • Ro 14-9012
    • Ro-14-9012
    • DTXSID90997571
    • 5-Oxo-A-tetranor-17-alpha-pregna-9,11-diene-21-17-carbolactone
    • (3R,3aS,9aS,9bS)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione
    • Spiro(3H-benz(e)indene-3,2'(5'H)-furan)-5',7(3aH)-dione, 1,2,3',4',8,9,9a,9b-octahydro-3a,6-dimethyl-, (3R-(3alpha,3aalpha,9aalpha,9bbeta))-
    • Inchi: 1S/C18H22O3/c1-11-12-5-8-17(2)14(13(12)3-4-15(11)19)6-9-18(17)10-7-16(20)21-18/h5,8,13-14H,3-4,6-7,9-10H2,1-2H3/t13-,14+,17+,18-/m1/s1
    • InChI Key: SAZMIOXOXMTFMT-IDCJVQTKSA-N
    • SMILES: O1C(CC[C@]21CC[C@H]1[C@@H]3CCC(C(C)=C3C=C[C@@]12C)=O)=O

Computed Properties

  • Exact Mass: 286.15689456g/mol
  • Monoisotopic Mass: 286.15689456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 600
  • 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: 2.4
  • Topological Polar Surface Area: 43.4?2

(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione Related Literature

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