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5-(t-Butyldimethylsilyloxy)-5-{(4S,5S)-5'-[(R)-1''-(t-butyldimethylsilyloxy)pent-3''-ynyl]-2',2'-dimethyl-[1,3]dioxolan-4'-yl}-pent-2-ynoic acid - Methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(t-Butyldimethylsilyloxy)-5-{(4S,5S)-5'-[(R)-1''-(t-butyldimethylsilyloxy)pent-3''-ynyl]-2',2'-dimethyl-[1,3]dioxolan-4'-yl}-pent-2-ynoic acid - Methyl ester
SpectraBase Compound ID 3cghNorXayX
InChI InChI=1S/C28H50O6Si2/c1-15-16-18-21(33-35(11,12)26(2,3)4)24-25(32-28(8,9)31-24)22(19-17-20-23(29)30-10)34-36(13,14)27(5,6)7/h21-22,24-25H,18-19H2,1-14H3/t21-,22?,24-,25-/m1/s1
InChIKey XIVQQGMNQQPKIE-RBNKSAMMSA-N
Mol Weight 538.9 g/mol
Molecular Formula C28H50O6Si2
Exact Mass 538.314592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lsf5rtz77iz
Name 5-(T-Butyldimethylsilyloxy)-5-{(4S,5S)-5'-[(R)-1''-(T-butyldimethylsilyloxy)pent-3''-ynyl]-2',2'-dimethyl-[1,3]dioxolan-4'-yl}-pent-2-ynoic acid - methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.314592394 u
Formula C28H50O6Si2
InChI InChI=1S/C28H50O6Si2/c1-15-16-18-21(33-35(11,12)26(2,3)4)24-25(32-28(8,9)31-24)22(19-17-20-23(29)30-10)34-36(13,14)27(5,6)7/h21-22,24-25H,18-19H2,1-14H3/t21-,22?,24-,25-/m1/s1
InChIKey XIVQQGMNQQPKIE-RBNKSAMMSA-N
Molecular Weight 538.872 g/mol
SMILES [C@@]1([C@](OC(O1)(C)C)([C@](O[Si](C(C)(C)C)(C)C)(CC#CC)[H])[H])(C(O[Si](C(C)(C)C)(C)C)CC#CC(=O)OC)[H]