Allolithocholic acid


CAS No. : 2276-94-0

Allolithocholic acid,2276-94-0
Product Details
Cat No:M008538
Synonyms:Allolithocholic acid; AC1NR32F; 3alpha-Hydroxy-5alpha-cholan-24-oic Acid; 2276-94-0; 3a-Hydroxy-5a-cholanoic acid;
Molecular Formula:C24H40O3
Molecular Weight:376.581
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Cat No:M008538
Cas No:2276-94-0
Product-Name:Allolithocholic acid
IUPAC Name:(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey:SMEROWZSTRWXGI-NWFSOSCSSA-N
SMILES:CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
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