3,6-DIKETOCHOLANIC ACID ,6868-73-1 _Chemical Cloud Database

3,6-DIKETOCHOLANIC ACID

Basic Information
Product Name：	3,6-DIKETOCHOLANIC ACID
CAS：	6868-73-1
English Synonyms：	5BETA-CHOLANIC ACID-3,6-DIONE ; 3,6-DIKETOCHOLANIC ACID
MDL Number.：	MFCD00067128
H bond acceptor：	4
H bond donor：	1
Smile：	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(CCC(=O)C4)C)C
InChi：	InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,23-,24-/m1/s1
InChiKey：	InChIKey=AWINBLVINXVKTE-FSILYXOFSA-N

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