Methyl Cholate

Methyl Cholate

• Synonyms: Methyl Cholate; Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3α,5β,7α,12α)-; Cholic acid, methyl ester (6CI,7CI,8CI); Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-ate; Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-oate; Methyl 3α,7α,12α-trihydroxy-5β-cholanoate; Methyl cholate; NSC 126794
• CAS Number: 1448-36-8
• Hazard Statement: No Data Available
• Purity: >95% (HPLC)
• Smiles: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
• Molecular Formula: C25 H42 O5
• Molecular Weight: 422.6
• InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
• Additionnal Information: IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Shipping Conditions: Room Temperature
• Storage Conditions: +4°C