Cas no 2749-28-2 (Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-)

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)- structure
2749-28-2 structure
Product Name:Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-
CAS No:2749-28-2
MF:C17H20O7
MW:336.336505889893
CID:239013
PubChem ID:75492729
Update Time:2025-04-19

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-
    • 2-O-Acetyltutin
    • (2R,3S,5R,6R,7R,8R)-2-Hydroxy-12-isopropenyl-7-methyl-11-oxospiro[4,10-dioxatetracyclo[7.2.1.0<sup>2,7</sup>.0<sup>3,5</sup>]dodecane-6,2'-oxiran]-8-yl acetate
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)he...
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-
    • 1-ACETYLADAMANTANE
    • 1-Acetyltutin
    • 1-adamantyl methyl ketone
    • acetyladamantane
    • adamantan-1-yl-ethan-1-one
    • Adamantanemethylketone
    • Adamantyl methyl ketone
    • Adamantyl Metyl Ketone
    • IFLAB-BB F1928-0002
    • [ "" ]
    • [(1S,2R,3S,5R,6R,7R,8S,9R,12R)-2-hydroxy-7-methyl-11-oxo-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-8-yl] acetate
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,1a,1b,5,6,6a,7a-hexahydro-1b,6-dihydroxy-8-isopropenyl-6a-methyl-,6-acetate
    • AKOS040761011
    • Tutin,6-acetate
    • 2749-28-2
    • Inchi： 1S/C17H20O7/c1-6(2)8-9-14(19)23-10(8)11(22-7(3)18)15(4)16(5-21-16)12-13(24-12)17(9,15)20/h8-13,20H,1,5H2,2-4H3/t8-,9+,10+,11+,12+,13-,15-,16+,17-/m0/s1
    • InChI Key： UUEQFDNPPWQXQE-VKLNUZRBSA-N
    • SMILES： O1[C@H]2[C@@H]1[C@]1(CO1)[C@]1(C)[C@@H]([C@H]3[C@@H](C(=C)C)[C@H](C(=O)O3)[C@@]12O)OC(C)=O

Computed Properties

  • Exact Mass: 336.12100
  • Monoisotopic Mass: 336.12090297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 703
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 97.9?2

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 518.6±50.0 °C at 760 mmHg
  • Flash Point: 191.8±23.6 °C
  • PSA: 97.89000
  • LogP: -0.04700
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)- Security Information

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)- Pricemore >>

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Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)- Related Literature

2749-28-2 (Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,6-(acetyloxy)hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-) Related Products

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