(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid

CAS No.
1516887-33-4
CCD No.
CCD08292760
Formula
C26H40O4
MolWeight
416.5934

Basic Information

Product Name: (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid
CAS: 1516887-33-4
English Synonyms: (E)-3Α-HYDROXY-6-ETHYLIDENE-7-KETO-5Β-CHOLAN-24-OIC ACID ; OBETICHOLIC ACID INTERMEDIATE 1
H bond acceptor: 0
H bond donor: 0
Smile: O[C@H]1C[C@H]2\C(\C([C@H]3[C@@H]4CC[C@H]([C@@H](CCC(=O)O)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)=O)=C/C
InChi: InChI=1S/C26H40O4/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/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
InChiKey: InChIKey=RDCBMNFSJFALPG-VRYJCBLKSA-N

Property

Safety information