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(2S,5R,6R,10R,12S,13S,14S,15R)-2,5-Bis(tert-butyldimethylsilyloxy)-6-(4-methoxybenzyloxy)-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-13,15-isopropylidenediox y-10,12-dimethylheptadec-7-yn-9-one

View entire compound with spectra: 1 MS (GC)

(2S,5R,6R,10R,12S,13S,14S,15R)-2,5-Bis(tert-butyldimethylsilyloxy)-6-(4-methoxybenzyloxy)-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-13,15-isopropylidenediox y-10,12-dimethylheptadec-7-yn-9-one
SpectraBase Compound ID CDkatSpu2hN
InChI InChI=1S/C60H100O10Si2/c1-22-49-51(23-2)67-58(13,14)68-55(49)43(5)39-42(4)50(61)33-34-52(64-40-45-25-29-47(62-16)30-26-45)53(69-71(18,19)56(7,8)9)35-37-59(15,70-72(20,21)57(10,11)12)54-36-38-60(24-3,44(6)66-54)65-41-46-27-31-48(63-17)32-28-46/h25-32,42-44,49,51-55H,22-24,35-41H2,1-21H3/t42-,43+,44+,49+,51-,52-,53-,54-,55+,59?,60-/m1/s1
InChIKey UIDIYRSWHGIURT-KBUWCJPCSA-N
Mol Weight 1037.6 g/mol
Molecular Formula C60H100O10Si2
Exact Mass 1036.685502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQf700Rk43I
Name (2S,5R,6R,10R,12S,13S,14S,15R)-2,5-Bis(tert-butyldimethylsilyloxy)-6-(4-methoxybenzyloxy)-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-13,15-isopropylidenediox y-10,12-dimethylheptadec-7-yn-9-one
Alternate Name(s) (2S,4R,8R,9R)-9,12-bis[(tert-butyldimethylsilyl)oxy]-2-[(4S,5S,6R)-5,6-diethyl-2,2-dimethyl-1,3-dioxan-4-yl]-12-[(2R,5R,6S)-5-ethyl-5-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]-8-[(4-methoxyphenyl)methoxy]-4-methyltridec-6-yn-5-one (2S,5R,6R,10R,12S,13S,14S,15R)-2,6-Bis(tert-butyldimethylsilyloxy)-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-13,15-isopropylidenedioxy-10,12-dimethylheptadec-7-yn-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H100O10Si2
InChI InChI=1S/C60H100O10Si2/c1-22-49-51(23-2)67-58(13,14)68-55(49)43(5)39-42(4)50(61)33-34-52(64-40-45-25-29-47(62-16)30-26-45)53(69-71(18,19)56(7,8)9)35-37-59(15,70-72(20,21)57(10,11)12)54-36-38-60(24-3,44(6)66-54)65-41-46-27-31-48(63-17)32-28-46/h25-32,42-44,49,51-55H,22-24,35-41H2,1-21H3/t42-,43+,44+,49+,51-,52-,53-,54-,55+,59?,60-/m1/s1
InChIKey UIDIYRSWHGIURT-KBUWCJPCSA-N
Molecular Weight 1037.620 g/mol
SMILES [C@@]1(OC(C)(C)O[C@@]([C@@]1(CC)[H])(CC)[H])([C@](C[C@](C(C#C[C@]([C@](O[Si](C(C)(C)C)(C)C)(CCC(O[Si](C(C)(C)C)(C)C)([C@@]1(O[C@](C)([H])[C@@](CC1)(OCc1ccc(cc1)OC)CC)[H])C)[H])(OCc1ccc(cc1)OC)[H])=O)(C)[H])(C)[H])[H]
SPLASH splash10-00di-0900000000-b649511b2f49d3d8ad2b
Source of Spectrum E1-37-1723-27
Wiley ID 1517823