Docetaxel Hydroxy tert-Butylcarbamate

ISO 17034:
Catalog Number : CS-T-53926
CAS Number : 154044-57-2
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What is the Chemical Information of Docetaxel Hydroxy tert-Butylcarbamate?

Chemical Name : Docetaxel Hydroxy tert-Butylcarbamate
Category : Intermediates
Therapeutic : Anti-Cancer / Oncology

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Canonical SMILES : CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)CO)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Isomeric SMILES : CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)CO)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
InChI : InChI=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)
InchIKey : HABZZLXXUPZIJD-UHFFFAOYSA-N
IUPAC Name : [4-acetyloxy-1,9,12-trihydroxy-15-[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Exact Mass : 823.34151998