Cas no 55855-00-0 (1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate)

1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate structure
55855-00-0 structure
Product Name:1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
CAS No:55855-00-0
MF:C32H49NO5
MW:527.735170125961
CID:1595644
PubChem ID:185822
Update Time:2025-04-21

1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate Chemical and Physical Properties

Names and Identifiers

    • 1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
    • 55855-00-0
    • DTXSID10971257
    • 1-(1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
    • Inchi: 1S/C32H49NO5/c1-18(2)20-9-13-29(5)21-10-15-31-12-7-8-23(31)32(29,25(20)33-26(21)31)16-22(37-19(3)34)27(35)28(4)17-36-30(6)14-11-24(28)38-30/h18,20-26,33H,7-17H2,1-6H3
    • InChI Key: HGRGIRWGMLFVRL-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(C(C1(C)COC2(C)CCC1O2)=O)CC12C3C(C(C)C)CCC1(C)C1CCC4(CCCC24)C1N3

Computed Properties

  • Exact Mass: 527.36107366g/mol
  • Monoisotopic Mass: 527.36107366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 7
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 12
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 73.9?2

1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate Related Literature

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