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CS-W001157 4
Total: USD 88.00

(8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol

  • CAS No. 4717-40-2

  • Cat. No. CS-0510746
  • Molecule weight312.40
  • Purity≥98%
  • MDL No.None

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

(8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol|CS-0510746

Structure of 4717-40-2

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General Information

  • CAS No. 4717-40-2
  • Cat. No. CS-0510746
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₄O₃
  • Molecular Weight 312.40
  • Synonym(s) Estriol Impurity 10
  • SMILES OC(C=C1)=CC2=C1[C@@]3([H])CC[C@]4(C)[C@](O)(C#C)[C@H](O)C[C@@]4([H])[C@]3([H])CC2

Synthesis

  • Route1
    • Estradiol Impurity 21|CS-1000814
      1247-71-8
    • null|null
      4301-14-8
    • ~%
    • (8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol|CS-0510746
      4717-40-2

    References

    • Engelfried; Gibian; Neumann; Prezewowsky; Schulz; Wiechert Arzneimittel-Forschung, 1966 , vol. 16, # 11 p. 1518 - 1522

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.69
  • LogP   2.5834
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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