NCS
中国新化学物质查询
福寿草毒苷(adonitoxin)
13-Hydroxy-14,15-epoxyeicosa-5,8,11-trienoic acid, 5,8,11-Tridecatrienoic acid,13-hydroxy-13-(3-pentyloxiranyl), (3β,16β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-o xocard-20(22)-enolide, 13-Hydroxy-13-(3-pentyloxiranyl)-5,8,11-tridecatrienoic acid, 14,15-EPETE,(13-(R)-hydroxy-15-(S)-trans-14,15-epoxy-5,8,11-(Z)-eicosatetraenoic acid), 13H-14,15-Eet
CAS号: 17651-61-5
IUPAC名称: (3S,5R,8R,9S,10R,13R,14S,16S,17R)-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
分子式: C29H42O10
分子量: 550.63800
InChI: InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28+,29-/m0/s1
InChIKey: ARANEVHRNOGYRH-BBNLJEPRSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C=O)O)O)O
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