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261968-08-5 | 2,7,15,17-Octadecatetraenal, 13-[(aminocarbonyl)oxy]-5,11-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4,6,8,10,12,14-hexamethyl-, (2Z,4S,5S,6S,7Z,10S,11R,12R,13S,14S,15Z)-
CAS No: 261968-08-5 Catalog No: AG002S7N MDL No:
Product Description
Catalog Number:
AG002S7N
Chemical Name:
2,7,15,17-Octadecatetraenal, 13-[(aminocarbonyl)oxy]-5,11-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4,6,8,10,12,14-hexamethyl-, (2Z,4S,5S,6S,7Z,10S,11R,12R,13S,14S,15Z)-
CAS Number:
261968-08-5
Molecular Formula:
C37H69NO5Si2
Molecular Weight:
664.1185
IUPAC Name:
[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxooctadeca-1,3,11,16-tetraen-6-yl] carbamate
InChI:
InChI=1S/C37H69NO5Si2/c1-18-19-21-28(4)33(41-35(38)40)31(7)34(43-45(16,17)37(11,12)13)30(6)25-26(2)24-29(5)32(27(3)22-20-23-39)42-44(14,15)36(8,9)10/h18-24,27-34H,1,25H2,2-17H3,(H2,38,40)/t27-,28-,29-,30-,31+,32-,33-,34+/m0/s1
InChI Key:
DNPLKZBJMGSWMQ-ONQQXJEUSA-N
SMILES:
C=C/C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@H](C/C(=C\[C@@H]([C@H]([C@H](/C=C\C=O)C)O[Si](C(C)(C)C)(C)C)C)/C)C)O[Si](C(C)(C)C)(C)C)C)OC(=O)N)C
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
663.471g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
664.131g/mol
Monoisotopic Mass:
663.471g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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