Cas no 79902-60-6 (Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI))

Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI) structure
79902-60-6 structure
Product Name:Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI)
CAS No:79902-60-6
MF:C26H40O5
MW:432.59280872345
CID:578571
PubChem ID:157589
Update Time:2025-04-19

Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI)
    • [(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methylbutanoate
    • [(1S,3S,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7- dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butan oate
    • L 643737-00S03
    • DTXSID60229952
    • 79902-60-6
    • Butanoic acid, 2-ethyl-2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester,(1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-
    • Inchi： 1S/C26H40O5/c1-6-26(5,7-2)25(29)31-22-13-16(3)12-18-9-8-17(4)21(24(18)22)11-10-20-14-19(27)15-23(28)30-20/h8-9,12,16-17,19-22,24,27H,6-7,10-11,13-15H2,1-5H3/t16-,17-,19-,20-,21-,22+,24-/m1/s1
    • InChI Key： OKOKBYYKKPVXFH-TURWMUHSSA-N
    • SMILES： O(C(C(C)(CC)CC)=O)[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O)[C@H]12

Computed Properties

  • Exact Mass: 432.28757437g/mol
  • Monoisotopic Mass: 432.28757437g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 719
  • 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
  • XLogP3: 5
  • Topological Polar Surface Area: 72.8?2

Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI) Related Literature

79902-60-6 (Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI)) Related Products

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