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CS-W001157 4
Total: USD 88.00

Methyl (4aS,6aR,6bS,8aR,13aS,15aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-15-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-hexadecahydropiceno[2,3-d]isoxazole-4a(2H)-carboxylate

  • CAS No. 218600-52-3

  • Cat. No. CS-M1470
  • Molecule weight507.70
  • Purity≥98%
  • MDL No.None

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

Methyl (4aS,6aR,6bS,8aR,13aS,15aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-15-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-hexadecahydropiceno[2,3-d]isoxazole-4a(2H)-carboxylate|CS-M1470

Structure of 218600-52-3

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General Information

  • CAS No. 218600-52-3
  • Cat. No. CS-M1470
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₄₅NO₄
  • Molecular Weight 507.70
  • Synonym(s) Oleana-2,9(11)-dieno[2,3-d]isoxazol-28-oic acid, 12-oxo-, methyl ester
  • SMILES CC(C)([C@]1([H])CC[C@@]([C@@]2(CC[C@]3(CCC(C)(C[C@@]3([H])[C@]24[H])C)C(OC)=O)C)5C)C(ON=C6)=C6C[C@]1(C)C5=CC4=O

Synthesis

  • Route1
    • null|null
      305818-39-7
    • ~65%
    • Methyl (4aS,6aR,6bS,8aR,13aS,15aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-15-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-hexadecahydropiceno[2,3-d]isoxazole-4a(2H)-carboxylate|CS-M1470
      218600-52-3

    References

    • Honda; Rounds; Bore; Finlay; Favaloro Jr.; Suh; Wang; Sporn; Gribble Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4233 - 4246
  • Route2
    • null|null
      218600-51-2
    • ~62%
    • Methyl (4aS,6aR,6bS,8aR,13aS,15aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-15-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-hexadecahydropiceno[2,3-d]isoxazole-4a(2H)-carboxylate|CS-M1470
      218600-52-3

    References

    • Honda, Tadashi; Rounds, BarbieAnn V.; Gribble, Gordon W.; Suh, Nanjoo; Wang, Yongping; Sporn, Michael B. Bioorganic and Medicinal Chemistry Letters, 1998 , vol. 8, # 19 p. 2711 - 2714
  • Route3
    • null|null
      65023-19-0
    • ~%
    • Methyl (4aS,6aR,6bS,8aR,13aS,15aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-15-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,15,15a,15b-hexadecahydropiceno[2,3-d]isoxazole-4a(2H)-carboxylate|CS-M1470
      218600-52-3

    References

    • Honda; Rounds; Bore; Finlay; Favaloro Jr.; Suh; Wang; Sporn; Gribble Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4233 - 4246

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   69.4
  • LogP   6.842
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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