3,6-DIKETOCHOLANIC ACID ETHYL ESTER_Chemical Cloud Database

3,6-DIKETOCHOLANIC ACID ETHYL ESTER

Basic Information
Product Name：	3,6-DIKETOCHOLANIC ACID ETHYL ESTER
English Synonyms：	3,6-DIKETOCHOLANIC ACID ETHYL ESTER ; 5BETA-CHOLANIC ACID-3,6-DIONE ETHYL ESTER
MDL Number.：	MFCD00271378
H bond acceptor：	4
H bond donor：	0
Smile：	CCOC(=O)CC[C@@H](C)[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/C26H40O4/c1-5-30-24(29)9-6-16(2)19-7-8-20-18-15-23(28)22-14-17(27)10-12-26(22,4)21(18)11-13-25(19,20)3/h16,18-22H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,25-,26-/m1/s1
InChiKey：	InChIKey=POERKELROKDXNB-IBQBDRAASA-N

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