Term: | fruticoside E |
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Accession: | CHEBI:67588
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Definition: | A steroid saponin that is 4-methylergosta-7,24(28)-dien-21-oic acid attached to an acetyloxy group at position 2, and a alpha-L-rhamnopyranosyloxy group at position 3 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa. |
Synonyms: | exact_synonym: | (2alpha,3beta,4alpha,5alpha)-2-(acetyloxy)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-4-methylergosta-7,24(28)-dien-21-oic acid |
| related_synonym: | 4alpha-methyl-2alpha-acetoxy-5alpha-ergost-7,24(28)-dien-21-oic acid-3beta-O-alpha-L-rhamnopyranoside; Formula=C37H58O9; InChI=1S/C37H58O9/c1-18(2)19(3)9-10-24(34(42)43)27-14-13-26-23-11-12-25-20(4)33(46-35-32(41)31(40)30(39)21(5)44-35)29(45-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,43)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+,35-,36-,37-/m0/s1; InChIKey=LOHRCIAMXCCSQS-RTWLVPPYSA-N; SMILES=CC(C)C(=C)CC[C@H]([C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(O)=O |
| xref: | PMID:21428418; Reaxys:21553374 |
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