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189453-35-8

189453-35-8 | Oxacyclohexadec-13-ene-2,6-dione, 4,8-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (4S,7R,8S,9S,13Z,16S)-

CAS No: 189453-35-8 Catalog No: AG002DOT MDL No:

Product Description

Catalog Number:
AG002DOT
Chemical Name:
Oxacyclohexadec-13-ene-2,6-dione, 4,8-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (4S,7R,8S,9S,13Z,16S)-
CAS Number:
189453-35-8
Molecular Formula:
C39H69NO5SSi2
Molecular Weight:
720.2049
IUPAC Name:
(4S,7R,8S,9S,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]cyclohexadec-13-ene-1,2,6-trione
InChI:
InChI=1S/C40H69NO5SSi2/c1-26-19-18-20-27(2)36(46-49(16,17)39(9,10)11)29(4)37(44)40(12,13)34(45-48(14,15)38(6,7)8)24-33(42)35(43)32(22-21-26)28(3)23-31-25-47-30(5)41-31/h21,23,25,27,29,32,34,36H,18-20,22,24H2,1-17H3/t27-,29+,32-,34-,36-/m0/s1
InChI Key:
GNAPAUDDSROWCR-CVCPIZFTSA-N
SMILES:
O=C1O[C@@H](C/C=C(/C)\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O[Si](C(C)(C)C)(C)C)(C)C)C)O[Si](C(C)(C)C)(C)C)C)/C(=C/c1csc(n1)C)/C

Properties

Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
731.443g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
732.224g/mol
Monoisotopic Mass:
731.443g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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