OUABAGENIN ,508-52-1 _Chemical Cloud Database

OUABAGENIN

Basic Information
Product Name：	OUABAGENIN
CAS：	508-52-1
English Synonyms：	1 BETA,3 BETA,5ALPHA,11ALPHA,14,19-HEXA-HYDROXY-5 BETA,20[22]-CARDENOLIDE ; 1BETA,3BETA,5,11ALPHA,14,19-HEXAHYDROXY-5BETA-CARD-20(22)-ENOLIDE ; 1-BETA,3-BETA,5,11-ALPHA,14,19-HEXAHYDROXY-5-BETA,14-BETA-CARD-20(22)-ENOLIDE ; G-STROPHANTHIDIN ; OUABAGENIN
MDL Number.：	MFCD00057697
H bond acceptor：	8
H bond donor：	6
Smile：	C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)O
InChi：	InChI=1S/C23H34O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/m0/s1
InChiKey：	InChIKey=BXSABLKMKAINIU-QOHCMMFCSA-N
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