Term: | andrastin A(1-) |
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Accession: | CHEBI:142823
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Definition: | An enolate anion resulting from the deprotonation of the enol group of andrastin A. Major species at pH 7.3. Published in Tetrahedron, 2013, 69(38), 8199-8204. http://dx.doi.org/10.1016/j.tet.2013.07.029 |
Synonyms: | exact_synonym: | 3beta-acetoxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17,19-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate |
| related_synonym: | (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-14-(methoxycarbonyl)-4,4,8,12,16-pentamethyl-17,19-dioxoandrosta-11,15-dien-15-olate; Formula=C28H37O7; InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,18-20,32H,9-12H2,1-8H3/p-1/t18-,19-,20+,25+,26+,27+,28-/m1/s1; InChIKey=SNSSSENJBPCLPM-OXILWVMOSA-M; SMILES=C1C[C@@H](C([C@@]2([C@@]1([C@]3([C@](CC2)([C@]4([C@@](C(=C3)C)(C(C(=C4[O-])C)=O)C)C(OC)=O)C)[H])C=O)[H])(C)C)OC(C)=O; andrastin A |
| cyclic_relationship: | is_conjugate_base_of CHEBI:142842 |
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