Cas no 71239-66-2 (Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)-)

Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)- structure
71239-66-2 structure
Product Name:Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)-
CAS No:71239-66-2
MF:C18H27NO4
MW:321.411285638809
CID:567910
PubChem ID:3085457
Update Time:2025-04-19

Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)-
    • croomine
    • 71239-66-2
    • CHEBI:69382
    • (3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
    • Q27137721
    • DTXSID40221414
    • SCHEMBL12920091
    • Spiro(furan-2(5H),9'-(9H)pyrrolo(1,2-a)azepin)-5-one, decahydro-4-methyl-3'-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (3'S-(3'alpha(2R*,4R*),9'alpha(S*),9'aalpha))-
    • (2S,3'S,4R,9a'S)-4-Methyl-3'-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]decahydro-5H-spiro[furan-2,9'-pyrrolo[1,2-a]azepin]-5-one
    • (+)-Croomine
    • Inchi： 1S/C18H27NO4/c1-11-9-14(22-16(11)20)13-5-6-15-18(7-3-4-8-19(13)15)10-12(2)17(21)23-18/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,18-/m0/s1
    • InChI Key： FOGTVYCUHQOMDW-QANXDEHQSA-N
    • SMILES： O1C([C@H](C)C[C@@]21CCCCN1[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@H]12)=O

Computed Properties

  • Exact Mass: 321.19411
  • Monoisotopic Mass: 321.19400834g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 521
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.7
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.84

Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)- Related Literature

Related Categories

71239-66-2 (Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)-) Related Products

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