Cas no 85643-91-0 ((3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate)

(3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate structure
85643-91-0 structure
Product Name:(3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate
CAS No:85643-91-0
MF:C22H30O6
MW:390.470007419586
CID:1846289
PubChem ID:6440771
Update Time:2025-04-21

(3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 2-methyl-, (3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho(1,2-b)furan-3-yl ester, (2Z)-
    • (3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate
    • (2Z)-2-Butenoic acid, 2-methyl-, (3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho(1,2-b)furan-3-yl ester
    • 85643-91-0
    • DTXSID40904179
    • [3S-[3alpha(Z),3aalpha,5aalpha,6beta,9abeta,9balpha]]-6-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid
    • Inchi： 1S/C22H30O6/c1-7-12(2)19(24)28-22(6)15-10-11-21(5)16(26-14(4)23)9-8-13(3)17(21)18(15)27-20(22)25/h7-8,15-18H,9-11H2,1-6H3/b12-7-/t15-,16-,17+,18-,21-,22+/m1/s1
    • InChI Key： TURJFYBHQNTMCA-DZKNJIKXSA-N
    • SMILES： O1C([C@](C)([C@@H]2CC[C@]3(C)[C@@H](CC=C(C)[C@H]3[C@H]12)OC(C)=O)OC(/C(=C\C)/C)=O)=O

Computed Properties

  • Exact Mass: 390.204239
  • Monoisotopic Mass: 390.204239
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 765
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.9
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.17
  • Boiling Point: 493.9°C at 760 mmHg
  • Flash Point: 212.9°C
  • Refractive Index: 1.53

(3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate Related Literature

Related Categories

85643-91-0 ((3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-3,5a,9-trimethyl-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-3-yl (2Z)-2-methylbut-2-enoate) Related Products

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