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Methyl Cholate, TRC
Specifications
Specifications
| Kemisk navn eller materiale | Cholic Acid Methyl Ester |
| CAS | 1448-36-8 |
| Molekylær formel | C25 H42 O5 |
| Mængde | 1 g |
| Synonym | 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 |
| InChI formel | 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 |
| SMIL | 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 |
| IUPAC navn | 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 |
| Molekylvægt (g/mol) | 422.6 |
| Formel vægt | 422.3032 |
Product Title
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