3-α-hydroxy-6-α-ethyl-7-keto-5β-cholan-24-oic acid

CAS No.
915038-26-5
CCD No.
CCD08293123
Formula
C26H42O4
MolWeight
418.6093

Basic Information

Product Name: 3-α-hydroxy-6-α-ethyl-7-keto-5β-cholan-24-oic acid
CAS: 915038-26-5
English Synonyms: 3Α-HYDROXY-6-ETHYL-7-KETO-5Β-CHOLAN-24-OIC ACID ; OBETICHOLIC ACID INTERMEDIATE G ; (3ALPHA,5BETA,6ALPHA)-6-ETHYL-3-HYDROXY-7-OXOCHOLAN-24-OIC ACID ; 3-Α-HYDROXY-6-Α-ETHYL-7-KETO-5Β-CHOLAN-24-OIC ACID
H bond acceptor: 0
H bond donor: 0
Smile: C(C)[C@H]1C([C@H]2[C@@H]3CC[C@H]([C@@H](CCC(=O)O)C)[C@]3(CC[C@@H]2[C@]2(CC[C@H](C[C@@H]12)O)C)C)=O
InChi: InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23,27H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,25-,26-/m1/s1
InChiKey: InChIKey=LHSZAKRHUYJKIU-CNFLPKCYSA-N

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