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158722-23-7 | "7-(triMethylsilyl)-13-O-[((4S,5R)-2,4-diphenyl-4,5-dihydro oxazol-5-yl)carbonyl]baccatin Ⅲ
CAS No: 158722-23-7 Catalog No: AG00AR1A MDL No:
Product Description
Catalog Number:
AG00AR1A
Chemical Name:
"7-(triMethylsilyl)-13-O-[((4S,5R)-2,4-diphenyl-4,5-dihydro oxazol-5-yl)carbonyl]baccatin Ⅲ
CAS Number:
158722-23-7
IUPAC Name:
[(1S,2S,3R,4S,7R,9S,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)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C53H63NO13Si/c1-10-68(11-2,12-3)67-38-28-39-52(30-61-39,66-33(6)56)44-46(65-48(58)36-26-20-15-21-27-36)53(60)29-37(31(4)40(50(53,7)8)42(62-32(5)55)45(57)51(38,44)9)63-49(59)43-41(34-22-16-13-17-23-34)54-47(64-43)35-24-18-14-19-25-35/h13-27,37-39,41-44,46,60H,10-12,28-30H2,1-9H3/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1
InChI Key:
ZAXCJOQYACAQIY-RGZLSWIJSA-N
Properties
Complexity:
1990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
949.407g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
950.166g/mol
Monoisotopic Mass:
949.407g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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