Cas no 160669-32-9 (2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-)

2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]- structure
160669-32-9 structure
Product Name:2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-
CAS No:160669-32-9
MF:C20H30O4
MW:334.449806690216
CID:174764
Update Time:2024-03-01

2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 2(5H)-Furanone,4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-
    • 2(5H)-Furanone,4-[2-(3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)ethyl]-,[4S-(4a,4aa,7a,8ab)]-
    • Amoenolide C
    • 2(5H)-Furanone, 4-[2-[(4S,4aS,7S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4,7-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-
    • Inchi: 1S/C20H30O4/c1-12-7-16(22)18-19(2,3)9-14(21)10-20(18,4)15(12)6-5-13-8-17(23)24-11-13/h8,14,16,18,21-22H,5-7,9-11H2,1-4H3/t14-,16-,18-,20+/m0/s1
    • InChI Key: WJXIJEONHYOELN-PFSLXQJOSA-N
    • SMILES: O1CC(CCC2[C@]3(C)[C@]([H])(C(C)(C)C[C@H](O)C3)[C@@H](O)CC=2C)=CC1=O

Computed Properties

  • Exact Mass: 334.2145

Experimental Properties

  • Density: 1.130±0.06 g/cm3(Predicted)
  • Boiling Point: 507.3±50.0 °C(Predicted)
  • PSA: 66.76
  • pka: 14.57±0.70(Predicted)
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