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CHEBI:143483 - Docetaxel Hydroxy tert-Butylcarbamate

ChEBI IDCHEBI:143483
ChEBI NameDocetaxel Hydroxy tert-Butylcarbamate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC43H53NO15
Net Charge0
Average Mass823.889
Monoisotopic Mass823.34152
SMILESCC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
InChIInChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
InChIKeyHABZZLXXUPZIJD-VCVYQWHSSA-N
ChEBI Ontology
Outgoing Relation(s)
Docetaxel Hydroxy tert-Butylcarbamate (CHEBI:143483) is a taxane diterpenoid (CHEBI:50367)