Deacetyl-7-xylosyltaxol C structure

Deacetyl-7-xylosyltaxol C

[4-acetyloxy-15-[3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Also Known As: Deacetyl-7-xylosyltaxol C|7-Xylosyl-10-deacetyltaxol C|10-DEACETYL-7-XYLOSYLPACLITAXEL|[4-acetoxy-15-[3-(hexanoylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

CAS: 90332-65-3
Molecular Formula C49H63NO17
Molecular Weight 937.4096 g/mol
LogP 1.8947
Topological Polar Surface Area 274.14 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 17
Rotatable Bonds 14
Exact Mass 937.4096
Monoisotopic Mass 937.4096
Heavy Atoms 67
Complexity 2202.0535

Chemical Identifiers

CAS Number 90332-65-3
SMILES CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O

Product Overview

Deacetyl-7-xylosyltaxol C (CAS 90332-65-3), with molecular formula C49H63NO17 and molecular weight 937.4096 g/mol. IUPAC: [4-acetyloxy-15-[3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.

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