(5E)-Calcipotriene

CAS: 113082-99-8

Ref. TR-C144210

Product Information

• Name: (5E)-Calcipotriene
• Synonyms: (5E,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1a,3ß,24-triol, (5E)-calcipotriol), Calcipotriol Imp. C (EP), 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1α,3β,5E,7E,22E,24S)-, PRI 2205, (1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol, 5,6-trans-Calcipotriol, 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3S,5E)-

Description

Impurity Calcipotriol EP Impurity C
Stability Temperature Sensitive
Applications The trans-isomeric impurity of Calcipotriene (C144200) and a vitamin D3 analogue with antitumor effects.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Wietrzyk, J. et al.: Anti-Cancer Drugs, 18, 447 (2007); Wietrzyk, J. et al.: Anticancer Res., 27, 3387 (2007); Filip, B. et al.: J. Ster. Biochem. Mol. Biol., 121, 399 (2010);

• Brand: TRC

Chemical properties

• Molecular weight: 412.60
• Formula: C₂₇H₄₀O₃
• Color/Form: Neat
• InChI: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17-,22-,23-,24+,25-,26+,27-/m1/s1
• InChI key: InChIKey=LWQQLNNNIPYSNX-GMGGYIQASA-N
• SMILES: C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O