SIMMONDSIN-3'-FERULATE_Chemical Cloud Database

SIMMONDSIN-3'-FERULATE

Basic Information
Product Name：	SIMMONDSIN-3'-FERULATE
English Synonyms：	SIMMONDSIN-3'-FERULATE
MDL Number.：	MFCD06656325
H bond acceptor：	13
H bond donor：	5
Smile：	COc1cc(ccc1O)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]\3C[C@H]([C@H]([C@@H](/C3=C/C#N)O)OC)OC)CO)O
InChi：	InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-22(32)19(12-28)38-26(23(25)33)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5+,14-8+/t16-,18+,19+,21+,22+,23+,24+,25-,26+/m0/s1
InChiKey：	InChIKey=FEUUHPJKQACSKU-IKAPZRGCSA-N

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