Term: | Officimalonic acid H |
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Accession: | CHEBI:204026
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Synonyms: | exact_synonym: | (2S,6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-12-hydroxy-3-(3-methoxy-3-oxopropanoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| related_synonym: | Formula=C35H54O7; InChI=1S/C35H54O7/c1-20(22(3)31(39)40)10-11-21(2)23-14-17-34(7)24-12-13-26-32(4,5)28(42-30(38)19-29(37)41-9)15-16-33(26,6)25(24)18-27(36)35(23,34)8/h21-23,26-28,36H,1,10-19H2,2-9H3,(H,39,40)/t21-,22+,23-,26+,27-,28-,33-,34+,35+/m1/s1; InChIKey=VATQJYHZJDBTRN-FPTGVVBESA-N; SMILES=O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(=O)OC)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C |
| xref: | Chemspider:78443388 |
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