PFAS

Global PFAS Screening Tool

No. of Substances: 18960
Ouabain Octahydrate
羊角拗质 , 乌本(箭毒)苷,哇巴因 , 乌巴因 , 乌本( 箭毒) 苷,哇巴因 , g-羊角拗质 , 乌本(箭毒)苷 , G毒毛旋花苷/乌本苷 , 哇巴因, Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,11α)-, Ouabain a-L-rhamnoside, G-Strophanthin (JAN), Strodival, 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2(5H)-furanone, Ouabain, Oubain, (1β,3β,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolid, Gratibain, (1β,3β,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide, (1b,3b,5b,11a)-3-[(6-Deoxy-a-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide, Astrobain, OUABAIN OCTAHYDRATE, Purostrophan, EINECS 211-139-3, g-Strophanthin Octahydrate, Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,11α)-, g-Strophantoside, MFCD00003688, Acocantherin, Gratus strophanthin, STROPHOPERM
CAS Number: 11018-89-6
IUPAC name: 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
Molecular formula: C29H60O20
Molecular weight: 584.653
InChI: InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1
InChIKey: TYBARJRCFHUHSN-DMJRSANLSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
EINECS: -
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