Cas no 68799-88-2 ((3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate)

(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate structure
68799-88-2 structure
Product Name:(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate
CAS No:68799-88-2
MF:C23H32O8
MW:436.495388031006
CID:1731113
PubChem ID:442295
Update Time:2025-04-21

(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate Chemical and Physical Properties

Names and Identifiers

    • (3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate
    • (3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methylpropanoate
    • 2-Methylpropanoic acid [(3S)-3β,6α-diacetoxy-2,3,3aβ,4,5,6,6aα,7,9aα,9bβ-decahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-4β-yl] ester
    • Propanoic acid, 2-methyl-, 3,6-bis(acetyloxy)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-3,6,9-trimethyl-2-oxoazuleno(4,5-b)furan-4-yl ester, (3S-(3alpha,3aalpha,4alpha,6beta,6abeta,9abeta,9balpha))-
    • Q27108039
    • 68799-88-2
    • 3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate
    • C09532
    • DTXSID60988512
    • CHEBI:8284
    • [(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
    • Polhovolide
    • Inchi： 1S/C23H32O8/c1-11(2)20(26)28-16-10-22(6,30-13(4)24)15-9-8-12(3)17(15)19-18(16)23(7,21(27)29-19)31-14(5)25/h8,11,15-19H,9-10H2,1-7H3/t15-,16+,17-,18-,19+,22+,23+/m1/s1
    • InChI Key： YNZANXMCWKBMJS-JMFNMADFSA-N
    • SMILES： O1C([C@](C)([C@@H]2[C@H](C[C@@](C)([C@@H]3CC=C(C)[C@H]3[C@H]12)OC(C)=O)OC(C(C)C)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 436.21
  • Monoisotopic Mass: 436.21
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 7
  • Complexity: 829
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 105A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.21
  • Boiling Point: 520.2°C at 760 mmHg
  • Flash Point: 222.6°C
  • Refractive Index: 1.521

(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate Related Literature

Related Categories

68799-88-2 ((3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate) Related Products

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