Term: | orthosphenic acid |
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Accession: | CHEBI:132615
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Definition: | A tricyclic diterpenoid having formula C30H48O5, originally isolated from the bark of Tripterygium wilfordii. |
Synonyms: | exact_synonym: | (2R,3R,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-2,3-dihydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid |
| related_synonym: | Formula=C30H48O5; InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1; InChIKey=JPAXVSRGFJVPEU-XCIUXINDSA-N; SMILES=C[C@H]1[C@]2(O)[C@@H](C[C@]3([C@]4([C@](CC[C@]13CO2)([C@]5(CC[C@]6(CC[C@@](C[C@]6([C@@]5(CC4)C)[H])(C)C(=O)O)C)C)[H])C)[H])O |
| xref: | CAS:86632-20-4; CBA:338605; KNApSAcK:C00037588; PMID:17972583; PMID:2534610; Pubchem:20056194; Reaxys:7836089 |
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