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Chemical structure of 6α-hydroxy Paclitaxel

GC42586

6α-hydroxy Paclitaxel

Also known as [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

6α-hydroxy Paclitaxel is a primary metabolite of the anticancer compound paclitaxel, produced by the action of the cytochrome P450 isoform CYP2C8

ChemicalCAS153212-75-0MW869.9FormulaC47H51NO15
CAS number
153212-75-0
Molecular weight
869.9
Formula
C47H51NO15
Solubility
DMSO： 30 mg/ml,Methanol： 10 mg/ml
InChIKey
NDCWHEDPSFRTDA-FJMWQILYSA-N
Catalogue number
GC42586
Brand
GLPBIO
Computed properties PubChem CID 10056458 · XLogP 1.5 · TPSA 242 Ų · H-bond donors 5
XLogP
1.5
TPSA
242 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
14
Heavy atoms
63

SMILES CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C

Computed descriptors from PubChem (CID 10056458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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