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143527-71-3 | 13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-7-O-(triethylsilyl) Baccatin III
CAS No: 143527-71-3 Catalog No: AG009EGG MDL No:
Product Description
Catalog Number:
AG009EGG
Chemical Name:
13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-7-O-(triethylsilyl) Baccatin III
CAS Number:
143527-71-3
IUPAC Name:
3-O-tert-butyl 5-O-[(1S,2S,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
InChI:
InChI=1S/C54H73NO15Si/c1-15-71(16-2,17-3)70-37-28-38-53(30-63-38,67-33(6)57)43-45(66-46(59)35-26-22-19-23-27-35)54(62)29-36(31(4)39(50(54,10)11)41(64-32(5)56)44(58)52(37,43)14)65-47(60)42-40(34-24-20-18-21-25-34)55(51(12,13)68-42)48(61)69-49(7,8)9/h18-27,36-38,40-43,45,62H,15-17,28-30H2,1-14H3/t36-,37+,38+,40-,41+,42+,43?,45-,52+,53-,54+/m0/s1
InChI Key:
AJTSEHSYOHISAY-FDWKPWCKSA-N
Properties
Complexity:
2090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
1003.475g/mol
Formal Charge:
0
Heavy Atom Count:
71
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
1004.255g/mol
Monoisotopic Mass:
1003.475g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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