Basic Information |
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Product Name: | (E/Z)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid Methyl ester |
CAS: | 863239-59-2 |
English Synonyms: | (3ALPHA,5BETA)-6-ETHYLIDENE-3-HYDROXY-7-OXOCHOLAN-24-OIC ACID METHYL ESTER ; (E/Z)-3Α-HYDROXY-6-ETHYLIDENE-7-KETO-5Β-CHOLAN-24-OIC ACID ; (E/Z)-3Α-HYDROXY-6-ETHYLIDENE-7-KETO-5Β-CHOLAN-24-OIC ACID METHYL ESTER ; OBETICHOLIC ACID INTER. OB-4 |
H bond acceptor: | 0 |
H bond donor: | 0 |
Smile: | COC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C([C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)=CC)=O)=O |
InChi: | InChI=1S/C27H42O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h6,16-17,19-22,24,28H,7-15H2,1-5H3/t16-,17-,19-,20+,21+,22+,24+,26-,27-/m1/s1 |
InChiKey: | InChIKey=SXDZXAFUWCERDJ-NKNLWPEVSA-N |
Property |
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Safety information |
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