Cas no 27498-90-4 (2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-)

2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)- structure
27498-90-4 structure
Product Name:2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-
CAS No:27498-90-4
MF:C17H25NO4
MW:307.384705305099
CID:269902
Update Time:2025-04-19

2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,
    • 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-
    • (-)-Stemonine
    • 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, [1S-[1a,3ab,8a(2R*,4R*),10aa,10ba]]-
    • Stemonine
    • Stemonine (C17 alkaloid)(8CI)
    • (1S,3aβ,10aα,10bα)-Decahydro-1α-methyl-8α-[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-one
    • Stemonine【C17 alkaloid】
    • (1S,3aR,7S,9aS,9bR)-1-methyl-7-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)decahydro-3-oxa-6a-azacyclopenta[e]azulen-2-one
    • 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one, decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (1S,3aR,8S,10aS,10bR)-
    • Inchi: 1S/C17H25NO4/c1-9-8-14(22-16(9)19)11-5-6-12-15-10(2)17(20)21-13(15)4-3-7-18(11)12/h9-15H,3-8H2,1-2H3/t9-,10-,11-,12-,13+,14-,15+/m0/s1
    • InChI Key: HTLBMAZNGBFLEY-FICWEOCZSA-N
    • SMILES: N12[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@]1([H])[C@@]1([H])[C@H](C)C(=O)O[C@]1([H])CCC2

Computed Properties

  • Exact Mass: 307.17845
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • XLogP3: 1.701

Experimental Properties

  • PSA: 55.84
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