Term: | jaconine |
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Accession: | CHEBI:136455
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Definition: | A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine. |
Synonyms: | exact_synonym: | (3R,5R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-5,6-dimethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione |
| related_synonym: | (15alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione; Formula=C18H26ClNO6; InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1; InChIKey=CKPJPJSVQMEGBC-YLFNNMARSA-N; SMILES=[C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O |
| xref: | AGR:IND44598050; Beilstein:56049; CAS:480-75-1; Chemspider:106487; PMID:16826978; PMID:17913058; PMID:19169751; PMID:21159354; PMID:21506416; PMID:21969251; PMID:22516740; PMID:835011; PMID:9328525; Reaxys:56049 |
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