GLYCOCHOLIC ACID

pro_cas
475-31-0
pro_cdbregno
CCD00043599
pro_formula
C26 H43 N O6
pro_molWeight
465.627

basic_info

Product_Name: GLYCOCHOLIC ACID
CAS: 475-31-0
EnglishSynonyms: 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL N-(CARBOXYMETHYL)-AMIDE ; GLYCOCHOLIC ACID ; 2-[[(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]PENTANOYL]AMINO]ACETIC ACID ; CLYCOCHOLIC ACID ; 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID N-(CARBOXYMETHYL)AMIDE ; 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL 24-N-(CARBOXYMETHYL)-AMIDE
pro_mdlNumber: MFCD00065902
pro_acceptors: 7
pro_donors: 5
pro_smile: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChi: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChiKey: InChIKey=RFDAIACWWDREDC-FRVQLJSFSA-N

property

MeltingPoint: 154-155 DEG C

secure_info

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