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CS-W001157 4
Total: USD 88.00

(R,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-one

  • CAS No. 112849-17-9

  • Cat. No. CS-M0579
  • Molecule weight639.11
  • Purity≥98%
  • MDL No.MFCD09032957

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

(R,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-one|CS-M0579

Structure of 112849-17-9

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General Information

  • CAS No. 112849-17-9
  • Cat. No. CS-M0579
  • Purity ≥98%
  • MDL No. MFCD09032957
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₉H₆₆O₃Si₂
  • Molecular Weight 639.11
  • Synonym(s) InterMediate G6/(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one
  • 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(C4CC4)=O)CC3

Synthesis

  • Route1
    • null|null
      67257-33-4
    • (1S,3R,5E,7E)-1,3-Bis[(tert-butyldimethylsilyl)oxy]-9,10-secopregna-5,7,10(19)-triene-20-carboxaldehyde|CS-0655377
      112828-13-4
    • ~%
    • In-stock
      (R,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-one|CS-M0579
      112849-17-9

    References

    • WO2005/95336 A2, ; Page/Page column 38-39 ;
  • Route2
    • null|null
      765-43-5
    • ~%
    • In-stock
      (R,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-one|CS-M0579
      112849-17-9

    References

    • Tetrahedron, , vol. 43, # 20 p. 4609-4619
  • Route3
    • null|null
      18162-48-6
    • ~%
    • In-stock
      (R,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-one|CS-M0579
      112849-17-9

    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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   11.3578
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   9

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