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CS-W001157 4
Total: USD 88.00

Baccatin III

  • CAS No. 27548-93-2

  • Cat. No. CS-0013149
  • Molecule weight586.63
  • Purity≥98%
  • MDL No.MFCD00153921

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

Baccatin III|CS-0013149

Structure of 27548-93-2

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General Information

  • CAS No. 27548-93-2
  • Cat. No. CS-0013149
  • Purity ≥98%
  • MDL No. MFCD00153921
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₁H₃₈O₁₁
  • Molecular Weight 586.63
  • Synonym(s) None
  • SMILES O=C1[C@H](OC(C)=O)C(C2(C)C)=C(C)[C@@H](O)C[C@@]2(O)[C@@H](OC(C3=CC=CC=C3)=O)[C@@]4([H])[C@@]1(C)[C@@H](O)C[C@@]5([H])OC[C@]54OC(C)=O

Description

Octanal is an essential precursor in the total synthesis of ()-dihydrosporothriolide, (+)-tetrahydropyrenophorol and (+)-awajanomycin. It can also be used in the synthesis of erythritol and pentaerythritol based hydrotropes.

Synthesis

  • Route1
    • In-stock
      10-Deacetylbaccatin III|CS-1052
      32981-86-5
    • null|null
      108-24-7
    • ~94%
    • In-stock
      Baccatin III|CS-0013149
      27548-93-2

    References

    • Damen, Eric W. P.; Braamer, Lesly; Scheeren, Hans W. Tetrahedron Letters, 1998 , vol. 39, # 33 p. 6081 - 6082
  • Route2
    • 7-(Triethylsilyl)baccatin III|CS-0854264
      115437-21-3
    • ~86%
    • In-stock
      Baccatin III|CS-0013149
      27548-93-2

    References

    • Danishefsky, Samuel J.; Masters, John J.; Young, Wendy B.; Link; Snyder, Lawrence B.; Magee, Thomas V.; Jung, David K.; Isaacs, Richard C. A.; Bornmann, William G.; Alaimo, Cheryl A.; Coburn, Craig A.; Di Grandi, Martin J. Journal of the American Chemical Society, 1996 , vol. 118, # 12 p. 2843 - 2859
  • Route3
    • null|null
      150541-99-4
    • ~96%
    • In-stock
      Baccatin III|CS-0013149
      27548-93-2

    References

    • Shiina, Isamu; Iwadare, Hayato; Sakoh, Hiroki; Hasegawa, Masatoshi; Tani, Yu-Ichirou; Mukaiyama, Teruaki Chemistry Letters, 1998 , # 1 p. 1 - 2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H315-H319-H335-H340-H350
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   165.89
  • LogP   1.6526
  • H_Acceptors   11
  • H_Donors   3
  • Rotatable_Bonds   4

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