Term: | 1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-beta-dihydroagarofuran |
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Accession: | CHEBI:65878
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Definition: | A dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. |
Synonyms: | exact_synonym: | (3R,4S,5R,5aS,6S,9S,9aS,10R)-5a-[(acetyloxy)methyl]-4-(benzoyloxy)-9-hydroxy-2,2,9-trimethyl-6,10-bis[(2-methylbutanoyl)oxy]octahydro-2H-3,9a-methano-1-benzoxepin-5-yl furan-3-carboxylate |
| related_synonym: | Formula=C39H50O13; InChI=1S/C39H50O13/c1-9-22(3)32(41)48-27-16-18-37(8,45)39-30(50-33(42)23(4)10-2)28(36(6,7)52-39)29(49-34(43)25-14-12-11-13-15-25)31(38(27,39)21-47-24(5)40)51-35(44)26-17-19-46-20-26/h11-15,17,19-20,22-23,27-31,45H,9-10,16,18,21H2,1-8H3/t22?,23?,27-,28+,29-,30+,31-,37-,38-,39-/m0/s1; InChIKey=JDBBOSXBGSMLEY-VSYIAHGVSA-N; SMILES=[H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC |
| xref: | PMID:16462067 |
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