Term: | (+)-phytocassane A |
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Accession: | CHEBI:72664
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Definition: | A phytocassane that is ent-podocarp-12-ene-3,11-dione carrying additional hydroxy, vinyl and methyl substituents at the 2alpha, 13 and 14 positions, respectively. |
Synonyms: | exact_synonym: | 2alpha-hydroxy-14beta-methyl-13-vinyl-5beta,8alpha,9beta,10alpha-podocarp-12-ene-3,11-dione |
| related_synonym: | (2alpha,5beta,8alpha,9beta,10alpha,14beta)-2-hydroxy-14-methyl-13-vinylpodocarp-12-ene-3,11-dione; (3R,4aR,4bR,8S,8aR,10aS)-3-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione; Formula=C20H28O3; InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m1/s1; InChIKey=XVEOIKIXOSKAFL-BJASISCMSA-N; SMILES=C1[C@H](C(C([C@]2([H])[C@]1(C)[C@@]3(C(C=C([C@H]([C@]3(CC2)[H])C)C=C)=O)[H])(C)C)=O)O; ent-2beta-hydroxy-12,15-cassadiene-3,11-dione |
| xref: | MetaCyc:CPD-7094; Reaxys:8509348 |
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