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CS-W001157 4
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(3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione

  • CAS No. 33879-04-8

  • Cat. No. CS-W017110
  • Purity≥98%
  • MDL No.MFCD00135412

*For research and further manufacturing use only, not for direct human use.

(3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione|CS-W017110

Structure of 33879-04-8

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General Information

  • CAS No. 33879-04-8
  • Cat. No. CS-W017110
  • Purity ≥98%
  • MDL No. MFCD00135412
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) (+)-Hexahydro-3A-Hydroxy-7A-Methyl-1H-Inden-1,5(6H)-Dione
  • SMILES O=C1CC[C@]2(O)CC(CC[C@]12C)=O

Synthesis

  • Route1
    • 2-Methyl-2-(3-oxobutyl)cyclopentane-1,3-dione|CS-1149955
      25112-78-1
    • ~99%
    • (3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione|CS-W017110
      33879-04-8

    References

    • Zhu, Hui; Clemente, Fernando R.; Houk, K. N.; Meyer, Matthew P. Journal of the American Chemical Society, 2009 , vol. 131, p. 1632 - 1633
  • Route2

    References

    • Tetrahedron Letters, , vol. 54, # 24 p. 3101 - 3104
  • Route3

    References

    • Hoffmann-La Roche Inc. Patent: US3975440 A1, 1976 ;

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.8397
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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