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CS-W001157 4
Total: USD 88.00

(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol Impurity

  • CAS No. 112849-27-1

  • Cat. No. CS-0229044
  • Purity≥98%
  • MDL No.MFCD09952331

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

(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol  Impurity|CS-0229044

Structure of 112849-27-1

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General Information

  • CAS No. 112849-27-1
  • Cat. No. CS-0229044
  • Purity ≥98%
  • MDL No. MFCD09952331
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₉H₆₈O₃Si₂
  • Molecular Weight 641.13
  • Synonym(s) Trans-Calcipotriol-bis-TBDMS-ether
  • SMILES C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC3

Synthesis

  • Route1
    • null|null
      112849-26-0
    • ~45%
    • (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol  Impurity|CS-0229044
      112849-27-1

    References

    • WO2006/24296 A1, ; Page/Page column 25 ;
  • Route2
    • (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one|CS-0654129
      112849-17-9
    • ~33%
    • null|null
      112849-26-0
    • (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol  Impurity|CS-0229044
      112849-27-1

    References

    • Tetrahedron, , vol. 43, # 20 p. 4609-4619
  • Route3
    • null|null
      765-43-5
    • ~%
    • (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol  Impurity|CS-0229044
      112849-27-1

    References

    • Tetrahedron, , vol. 43, # 20 p. 4609-4619

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   38.69
  • LogP   11.1496
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   9

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