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(15R,16S,23R)-15-[tert-butyl(dimethyl)silyl]oxy-23-[(4-methoxyphenyl)methoxy]-16-methyl-1-oxacyclotetracos-19-en-17-yn-2-one
SpectraBase Compound ID E2gkwbTBvJm
InChI InChI=1S/C38H62O5Si/c1-32-22-18-16-17-19-23-35(41-30-33-26-28-34(40-5)29-27-33)31-42-37(39)25-21-15-13-11-9-8-10-12-14-20-24-36(32)43-44(6,7)38(2,3)4/h16-17,26-29,32,35-36H,8-15,19-21,23-25,30-31H2,1-7H3/t32-,35+,36+/m0/s1
InChIKey BGYAFQPWIKASOB-WLNFAGPHSA-N
Mol Weight 627.0 g/mol
Molecular Formula C38H62O5Si
Exact Mass 626.436652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2cI3QiEREX
Name (15R,16S,23R)-15-[tert-butyl(dimethyl)silyl]oxy-23-[(4-methoxyphenyl)methoxy]-16-methyl-1-oxacyclotetracos-19-en-17-yn-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.436651626 u
Formula C38H62O5Si
InChI InChI=1S/C38H62O5Si/c1-32-22-18-16-17-19-23-35(41-30-33-26-28-34(40-5)29-27-33)31-42-37(39)25-21-15-13-11-9-8-10-12-14-20-24-36(32)43-44(6,7)38(2,3)4/h16-17,26-29,32,35-36H,8-15,19-21,23-25,30-31H2,1-7H3/t32-,35+,36+/m0/s1
InChIKey BGYAFQPWIKASOB-WLNFAGPHSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405790
Molecular Weight 626.994 g/mol
Optical Rotation [a]D20 = -15.4 (c = 1.08, CHCl3)
Quality 10
Reported Formula C38H62O5Si
SMILES [C@]1([C@](C#CC=CCC[C@](COC(CCCCCCCCCCCC1)=O)(OCC1=CC=C(C=C1)OC)[H])(C)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-00di-0900000000-da85c8c0de6f256cd505
Sample Comments anti/syn = 90:10
Source of Spectrum QE-21-SM3-6 (DOI: 10.1002/chem.201405790)
Wiley ID 1907571