METHYL DEHYDROCHOLATE ,7727-82-4 _Chemical Cloud Database

METHYL DEHYDROCHOLATE

Basic Information
Product Name：	METHYL DEHYDROCHOLATE
CAS：	7727-82-4
English Synonyms：	5-BETA-CHOLANIC ACID-3,7,12-TRIONE METHYL ESTER ; METHYL DEHYDROCHOLATE ; METHYL 3,7,12-TRIOXO-5-BETA-CHOLAN-24-OATE
MDL Number.：	MFCD00078998
H bond acceptor：	5
H bond donor：	0
Smile：	C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
InChi：	InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1
InChiKey：	InChIKey=ZNRVRJLOYAQJBW-QIGXKWAMSA-N

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