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(6R,10R,11R,12S,13S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-11-methyl-12,13-bis(triethylsilyloxy)hexadec-2-en-14-yn-4-one

View entire compound with spectra: 1 MS (GC)

(6R,10R,11R,12S,13S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-11-methyl-12,13-bis(triethylsilyloxy)hexadec-2-en-14-yn-4-one
SpectraBase Compound ID CKG1XeqNDyF
InChI InChI=1S/C37H64O6Si2/c1-11-20-32(38)28-33(39)22-19-23-35(41-29-31-24-26-34(40-10)27-25-31)30(9)37(43-45(16-6,17-7)18-8)36(21-12-2)42-44(13-3,14-4)15-5/h11,20,24-27,30,33,35-37,39H,13-19,22-23,28-29H2,1-10H3/b20-11+/t30-,33-,35-,36+,37+/m1/s1
InChIKey OLKWFZMUYIFDDV-ONVNWMOHSA-N
Mol Weight 661.1 g/mol
Molecular Formula C37H64O6Si2
Exact Mass 660.424143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ASCsngWy0b
Name (6R,10R,11R,12S,13S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-11-methyl-12,13-bis(triethylsilyloxy)hexadec-2-en-14-yn-4-one
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Formula C37H64O6Si2
InChI InChI=1S/C37H64O6Si2/c1-11-20-32(38)28-33(39)22-19-23-35(41-29-31-24-26-34(40-10)27-25-31)30(9)37(43-45(16-6,17-7)18-8)36(21-12-2)42-44(13-3,14-4)15-5/h11,20,24-27,30,33,35-37,39H,13-19,22-23,28-29H2,1-10H3/b20-11+/t30-,33-,35-,36+,37+/m1/s1
InChIKey OLKWFZMUYIFDDV-ONVNWMOHSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011472
Molecular Weight 661.083 g/mol
Optical Rotation [a]D20 = +12.1 (c = 1.31, CHCl3)
Reported Formula C37H64O6Si2
SMILES O[C@@](CC(\C=C\C)=O)(CCC[C@]([C@]([C@](O[Si](CC)(CC)CC)([C@](C#CC)(O[Si](CC)(CC)CC)[H])[H])(C)[H])(OCc1ccc(cc1)OC)[H])[H]
SPLASH splash10-00di-0900000000-08d63ea1a6a04f1e37d5
Source of Spectrum ACI-60-SM15-S3
Wiley ID 1880193