Basic Information |
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Product Name: | 20(22),5BETA-CARDENOLID-19-AL-3BETA,5BETA,14BETA-TRIOL 3-(O->1BETA)-D-CYANOPYRANOSIDE |
English Synonyms: | CYMASIN ; 20(22),5BETA-CARDENOLID-19-AL-3BETA,5BETA,14BETA-TRIOL 3-(O->1BETA)-D-CYANOPYRANOSIDE ; K STROPHANTIN A |
MDL Number.: | MFCD00467336 |
H bond acceptor: | 12 |
H bond donor: | 6 |
Smile: | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CCC(C5)O[C@]6(C(C(C([C@H](O6)CO)O)O)O)C#N)C=O)O |
InChi: | InChI=1S/C30H41NO11/c1-26-6-3-19-20(29(26,39)9-5-18(26)16-10-22(34)40-13-16)4-8-28(38)11-17(2-7-27(19,28)15-33)41-30(14-31)25(37)24(36)23(35)21(12-32)42-30/h10,15,17-21,23-25,32,35-39H,2-9,11-13H2,1H3/t17?,18-,19+,20-,21-,23?,24?,25?,26-,27+,28+,29+,30-/m1/s1 |
InChiKey: | InChIKey=UOBFEOPYHSMVLG-ZRPKIIAOSA-N |
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