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(2S,5S,7S,1'S,2'S,1''S)-2-(6'-(Benzyloxy)-1',2'-epoxy-2'-methylhex-4'-yn-1'-yl)-7-[2''-(t-butyldiphenylsilyloxy)-1''-methylethyl]-1,6-dioxaspiro[4,5]decane

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(2S,5S,7S,1'S,2'S,1''S)-2-(6'-(Benzyloxy)-1',2'-epoxy-2'-methylhex-4'-yn-1'-yl)-7-[2''-(t-butyldiphenylsilyloxy)-1''-methylethyl]-1,6-dioxaspiro[4,5]decane
SpectraBase Compound ID GmKXyGuzxs8
InChI InChI=1S/C41H52O5Si/c1-32(30-43-47(39(2,3)4,34-20-11-7-12-21-34)35-22-13-8-14-23-35)36-24-17-27-41(44-36)28-25-37(45-41)38-40(5,46-38)26-15-16-29-42-31-33-18-9-6-10-19-33/h6-14,18-23,32,36-38H,17,24-31H2,1-5H3/t32-,36-,37-,38-,40?,41-/m0/s1
InChIKey PQOBYIXZUAFFFR-AQACAQQQSA-N
Mol Weight 652.9 g/mol
Molecular Formula C41H52O5Si
Exact Mass 652.358401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7q8ArdJH9WE
Name (2S,5S,7S,1'S,2'S,1''S)-2-(6'-(Benzyloxy)-1',2'-epoxy-2'-methylhex-4'-yn-1'-yl)-7-[2''-(T-butyldiphenylsilyloxy)-1''-methylethyl]-1,6-dioxaspiro[4,5]decane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.358401304 u
Formula C41H52O5Si
InChI InChI=1S/C41H52O5Si/c1-32(30-43-47(39(2,3)4,34-20-11-7-12-21-34)35-22-13-8-14-23-35)36-24-17-27-41(44-36)28-25-37(45-41)38-40(5,46-38)26-15-16-29-42-31-33-18-9-6-10-19-33/h6-14,18-23,32,36-38H,17,24-31H2,1-5H3/t32-,36-,37-,38-,40?,41-/m0/s1
InChIKey PQOBYIXZUAFFFR-AQACAQQQSA-N
Molecular Weight 652.947 g/mol
SMILES [C@@]1(OC1(CC#CCOCC=1C=CC=CC1)C)([C@]1(O[C@]2(O[C@]([C@](CO[Si](C(C)(C)C)(C=3C=CC=CC3)C=3C=CC=CC3)(C)[H])(CCC2)[H])CC1)[H])[H]