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2-Butenoic acid, 4-[7'-[5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-hydroxy-4-methyl-3-(phenylsulfonyl)hexyl]tetrahydrospiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran]-4'-yl]-3-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID JkUhUBfA59D
InChI InChI=1S/C39H64O9SSi/c1-26(23-33(41)45-37(4,5)6)22-32-35-34(46-39(47-35)20-16-13-17-21-39)29(25-44-32)24-31(40)36(49(42,43)30-18-14-12-15-19-30)27(2)28(3)48-50(10,11)38(7,8)9/h12,14-15,18-19,23,27-29,31-32,34-36,40H,13,16-17,20-22,24-25H2,1-11H3/b26-23+
InChIKey CPNZIRKWQOTAQK-WNAAXNPUSA-N
Mol Weight 737.1 g/mol
Molecular Formula C39H64O9SSi
Exact Mass 736.404031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B07AZGf2c0e
Name 2-Butenoic acid, 4-[7'-[5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-hydroxy-4-methyl-3-(phenylsulfonyl)hexyl]tetrahydrospiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran]-4'-yl]-3-methyl-, 1,1-dimethylethyl ester
CAS Registry Number 117438-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H64O9SSi
InChI InChI=1S/C39H64O9SSi/c1-26(23-33(41)45-37(4,5)6)22-32-35-34(46-39(47-35)20-16-13-17-21-39)29(25-44-32)24-31(40)36(49(42,43)30-18-14-12-15-19-30)27(2)28(3)48-50(10,11)38(7,8)9/h12,14-15,18-19,23,27-29,31-32,34-36,40H,13,16-17,20-22,24-25H2,1-11H3/b26-23+
InChIKey CPNZIRKWQOTAQK-WNAAXNPUSA-N
Molecular Weight 737.077 g/mol
SMILES OC(C(S(=O)(=O)c1ccccc1)C(C(O[Si](C(C)(C)C)(C)C)C)C)CC1C2C(OC3(O2)CCCCC3)C(OC1)C\C(=C\C(OC(C)(C)C)=O)C
SPLASH splash10-0a4l-0908012000-9a822b9f465889685fbf
Source of Spectrum J-53-5921-66
Synonyms Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran], 2-butenoic acid deriv. tert-Butyl (2E)-4-{7-[3-(benzenesulfonyl)-5-[(tert-butyldimethylsilyl)oxy]-2-hydroxy-4-methylhexyl]-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl}-3-methylbut-2-enoate tert-Butyl 4-{5(S)-[3-(phenylsulfonyl)-5(S)-[(tert-butyldimethylsilyl)oxy]-2-hydroxy-4(R)-methylhexyl]-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-2(S)-yl}-3-methyl-2(E)-butenoate
Wiley ID 1416042