4-DEMETHYLSIMMONDSIN-2'-FERULATE_Chemical Cloud Database

4-DEMETHYLSIMMONDSIN-2'-FERULATE

Basic Information
Product Name：	4-DEMETHYLSIMMONDSIN-2'-FERULATE
English Synonyms：	4-DEMETHYLSIMMONDSIN-2'-FERULATE ; DEMETHYLSIMMONDSIN-2'-FERULATE, 4-
MDL Number.：	MFCD11113798
H bond acceptor：	13
H bond donor：	6
Smile：	COc1cc(ccc1O)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]\3C[C@H]([C@H]([C@@H](/C3=C/C#N)O)OC)O)CO)O)O
InChi：	InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7+/t15-,16+,18-,20-,21-,22+,23-,24-,25-/m1/s1
InChiKey：	InChIKey=KZBHGKPXLHDZDW-OQLIGDGASA-N

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