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CHEBI:46058 - TAXOTERE
| Formula | C43H53NO14 |
| Net Charge | 0 |
| Average Mass | 807.890 |
| Monoisotopic Mass | 807.34661 |
| SMILES | [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@@]1([H])OC[C@@]21OC(C)=O)C3(C)C |
| InChI | InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 |
| InChIKey | ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TAXOTERE (CHEBI:46058) is a organic molecular entity (CHEBI:50860) |
| Synonyms | Source |
|---|---|
| (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | PDBeChem |
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