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CS-W001157 4
Total: USD 88.00

(1R,2R,3R,E)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-(3-hydroxypropoxy)-4-methylenecyclohexane-1,3-diol

  • CAS No. 861996-34-1

  • Cat. No. CS-0013494
  • Purity≥98%
  • MDL No.None

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

(1R,2R,3R,E)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-(3-hydroxypropoxy)-4-methylenecyclohexane-1,3-diol|CS-0013494

Structure of 861996-34-1

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General Information

  • CAS No. 861996-34-1
  • Cat. No. CS-0013494
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₅₀O₅
  • Molecular Weight 490.72
  • Synonym(s) Eldecalcitol Impurity 1
  • SMILES C[C@]1(CCC/2)[C@](CC[C@]1([H])[C@@H](CCCC(C)(O)C)C)([H])C2=C\C=C3C([C@@H](O)[C@H](OCCCO)[C@H](O)C\3)=C

Safety Information

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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

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Computational Chemistry Data

  • TPSA   90.15
  • LogP   5.0822
  • H_Acceptors   5
  • H_Donors   4
  • Rotatable_Bonds   10

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