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CHEBI:39535 - 13-DEOXYTEDANOLIDE
| Formula | C32H50O10 |
| Net Charge | 0 |
| Average Mass | 594.742 |
| Monoisotopic Mass | 594.34040 |
| SMILES | [H]O[C@]([H])([C@@]1(C([H])([H])[H])O[C@]1([H])[C@]([H])(/C([H])=C(/[H])C([H])([H])[H])C([H])([H])[H])[C@]1([H])C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])/C([H])=C(\C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(O[H])C(=O)OC1([H])[H] |
| InChI | InChI=1S/C32H50O10/c1-10-11-17(3)30-32(8,42-30)29(38)22-15-41-31(39)27(37)28(40-9)21(7)26(36)20(6)24(34)19(5)14-18(4)23(33)13-12-16(2)25(22)35/h10-11,14,16-18,20-22,24,27-30,34,37-38H,12-13,15H2,1-9H3/b11-10-,19-14+/t16-,17+,18+,20-,21-,22+,24+,27-,28+,29+,30-,32-/m1/s1 |
| InChIKey | YTOSLGBJMGPGPA-AYJAMTIUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 13-DEOXYTEDANOLIDE (CHEBI:39535) is a macrolide (CHEBI:25106) |
| Synonyms | Source |
|---|---|
| 13-DEOXYTEDANOLIDE | PDBeChem |
| (3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-dihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(1S,2Z)-1-methylbut-2-en-1-yl]oxiran-2-yl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferred name) | PDBeChem |