Cas no 104992-93-0 (Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI))

Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI) structure
104992-93-0 structure
Product Name:Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI)
CAS No:104992-93-0
MF:C22H30O4
MW:358.471207141876
CID:151246
PubChem ID:6439016
Update Time:2025-04-19

Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI)
    • [(3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-9-yl] acetate
    • Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethy...
    • Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,1
    • kericembrenolide B
    • (3aR,6E,9R,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl acetate
    • (3aR,6Z,9R,10Z,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl acetate
    • Cyclotetradeca(b)furan-2(3H)-one, 9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3aR-(3aR*,6E,9R*,10E,14E,15aS*))-
    • 104992-93-0
    • Inchi： 1S/C22H30O4/c1-14-9-11-19-17(4)22(24)26-21(19)13-15(2)7-6-8-16(3)20(12-10-14)25-18(5)23/h8,10,13,19-21H,4,6-7,9,11-12H2,1-3,5H3/b14-10-,15-13-,16-8-/t19-,20-,21+/m1/s1
    • InChI Key： SEYWCNKTQOZEOO-DXHWKWCBSA-N
    • SMILES： O1C(C(=C)[C@H]2CCC(C)=CC[C@H](C(C)=CCCC(C)=C[C@H]12)OC(C)=O)=O |c:8,13,18|

Computed Properties

  • Exact Mass: 358.21440943g/mol
  • Monoisotopic Mass: 358.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 666
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 52.6?2

Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI) Related Literature

104992-93-0 (Cyclotetradeca[b]furan-2(3H)-one,9-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-,(3aR,6E,9R,10E,14E,15aS)- (9CI)) Related Products

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