Cas no 84173-29-5 (8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate)

8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate structure
84173-29-5 structure
Product Name:8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
CAS No:84173-29-5
MF:C23H34O5
MW:390.513067722321
CID:989230
PubChem ID:2854
Update Time:2025-04-20

8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • 8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
    • [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
    • AKOS025149489
    • MLS002702124
    • DTXSID80860962
    • HMS3394P07
    • InChI=1/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H
    • SY077144
    • HMS3372K09
    • 84173-29-5
    • BRL-2485
    • NCIChal_000002
    • NCI60_002287
    • NSC281245
    • BRL 2485
    • FT-0602328
    • 2-methylbutanoic acid 1,2,3,7,8,8a-hexa-hydro-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl]-1-naphthalenyl ester
    • SMR001565691
    • CHEMBL1710493
    • LS-15021
    • NSC-281245
    • 8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
    • NS00004942
    • SCHEMBL7721400
    • DB-261334
    • 2-Methylbutyric acid 8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl ]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester
    • 58948-09-7
    • Inchi： 1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3
    • InChI Key： AJLFOPYRIVGYMJ-UHFFFAOYSA-N
    • SMILES： O(C(C(C)CC)=O)C1CCC=C2C=CC(C)C(CCC3CC(CC(=O)O3)O)C12

Computed Properties

  • Exact Mass: 390.24062418g/mol
  • Monoisotopic Mass: 390.24062418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 637
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 72.8?2

8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate Related Literature

Related Categories

84173-29-5 (8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate) Related Products

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