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160651-94-5 | 3-Oxazolidinepropanoic acid, α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (9CI)
CAS No: 160651-94-5 Catalog No: AG001S3E MDL No:
Product Description
Catalog Number:
AG001S3E
Chemical Name:
3-Oxazolidinepropanoic acid, α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (9CI)
CAS Number:
160651-94-5
IUPAC Name:
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChI:
InChI=1S/C49H51Cl6NO19/c1-23-27(70-38(61)32(58)31(25-14-10-8-11-15-25)56-39(62)44(5,6)75-40(56)63)19-47(66)36(73-37(60)26-16-12-9-13-17-26)34-45(7,35(59)33(30(23)43(47,3)4)72-42(65)69-22-49(53,54)55)28(71-41(64)68-21-48(50,51)52)18-29-46(34,20-67-29)74-24(2)57/h8-17,27-29,31-34,36,58,66H,18-22H2,1-7H3/t27-,28-,29+,31-,32+,33+,34-,36-,45+,46-,47+/m0/s1
InChI Key:
VRSGCJUFENMYHX-JMVOMOTHSA-N
Properties
Complexity:
2320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
1169.116g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1170.635g/mol
Monoisotopic Mass:
1167.119g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
263A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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