Term: | Aldecamycin |
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Accession: | CHEBI:203752
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Synonyms: | exact_synonym: | 1-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxy(313C)propan-1-one |
| related_synonym: | Formula=C30[13C]3H56O9; InChI=1S/C33H56O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,14,17,20-25,27-32,34-35,37-40H,8,10-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-,31+,32+,33+/m0/s1/i11+1,13+1,23+1; InChIKey=SPNFYMLYGCXGEF-HWRBIQGMSA-N; SMILES=O=C([C@]1([13C@H](C(=C[C@@H]2[C@@H]1[C@@H](C[C@@H]([13CH2]2)C)C)C)C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H](O)/C(=C/CC)/C)C)C)C[13CH2]O |
| xref: | Chemspider:8591575 |
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