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(4S,7R,8S,9S)-12-{(4R,5R)-5-[(S,E)-2-tert-butyldimethylsilyloxy)-3-methyl-4-(2-methylthiazol-4-yl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl}-8-hydroxy-5,5,7,9-tetramethyl-4-(triethylsiloxy)dodec-1-en-6-one

View entire compound with spectra: 1 MS (GC)

(4S,7R,8S,9S)-12-{(4R,5R)-5-[(S,E)-2-tert-butyldimethylsilyloxy)-3-methyl-4-(2-methylthiazol-4-yl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl}-8-hydroxy-5,5,7,9-tetramethyl-4-(triethylsiloxy)dodec-1-en-6-one
SpectraBase Compound ID GT11qRNn7Pd
InChI InChI=1S/C43H79NO6SSi2/c1-19-24-36(49-53(20-2,21-3)22-4)41(12,13)39(46)32(7)38(45)30(5)25-23-26-43(16)37(47-42(14,15)50-43)28-35(48-52(17,18)40(9,10)11)31(6)27-34-29-51-33(8)44-34/h19,27,29-30,32,35-38,45H,1,20-26,28H2,2-18H3/b31-27+/t30-,32+,35-,36-,37+,38-,43+/m0/s1
InChIKey HHDGIFCOLMJMGJ-XONXLBAISA-N
Mol Weight 794.3 g/mol
Molecular Formula C43H79NO6SSi2
Exact Mass 793.516664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dxo4VxCe4Nm
Name (4S,7R,8S,9S)-12-{(4R,5R)-5-[(S,E)-2-tert-butyldimethylsilyloxy)-3-methyl-4-(2-methylthiazol-4-yl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl}-8-hydroxy-5,5,7,9-tetramethyl-4-(triethylsiloxy)dodec-1-en-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H79NO6SSi2
InChI InChI=1S/C43H79NO6SSi2/c1-19-24-36(49-53(20-2,21-3)22-4)41(12,13)39(46)32(7)38(45)30(5)25-23-26-43(16)37(47-42(14,15)50-43)28-35(48-52(17,18)40(9,10)11)31(6)27-34-29-51-33(8)44-34/h19,27,29-30,32,35-38,45H,1,20-26,28H2,2-18H3/b31-27+/t30-,32+,35-,36-,37+,38-,43+/m0/s1
InChIKey HHDGIFCOLMJMGJ-XONXLBAISA-N
Molecular Weight 794.336 g/mol
SMILES O[C@]([C@](C(C([C@@](O[Si](CC)(CC)CC)(CC=C)[H])(C)C)=O)(C)[H])([C@](CCC[C@]1(OC(C)(C)O[C@@]1(C[C@@](\C(=C\c1nc(C)sc1)C)(O[Si](C(C)(C)C)(C)C)[H])[H])C)(C)[H])[H]
SPLASH splash10-0a4i-0030090000-cf567bb9e88af3c8619b
Source of Spectrum K1-0-3393-74
Synonyms (4S,7R,8S,9S)-12-[(4R,5R)-5-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-4-thiazolyl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8-hydroxy-5,5,7,9-tetramethyl-4-triethylsilyloxy-1-dodecen-6-one (4S,7R,8S,9S)-12-[(4R,5R)-5-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8-hydroxy-5,5,7,9-tetramethyl-4-triethylsilyloxydodec-1-en-6-one (4S,7R,8S,9S)-12-[(4R,5R)-5-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-5,5,7,9-tetramethyl-8-oxidanyl-4-triethylsilyloxy-dodec-1-en-6-one
Wiley ID 1589146