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Methyl 8(S)-acetyl-9(S)-[1(S),2-(isopropylidenedioxy)-ethyl]-12(S)-(tert-butyldimethylsiloxy)-5(Z),10(E)-heptadecadienoate
SpectraBase Compound ID IS8vdmbFbRU
InChI InChI=1S/C31H56O6Si/c1-11-12-15-18-25(37-38(9,10)30(3,4)5)21-22-27(28-23-35-31(6,7)36-28)26(24(2)32)19-16-13-14-17-20-29(33)34-8/h13,16,21-22,25-28H,11-12,14-15,17-20,23H2,1-10H3/b16-13-,22-21+/t25-,26+,27-,28+/m0/s1
InChIKey IJGKSSYVJOUZMZ-BUCFNOBKSA-N
Mol Weight 552.9 g/mol
Molecular Formula C31H56O6Si
Exact Mass 552.384616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36Pd2u6XWfw
Name Methyl 8(S)-acetyl-9(S)-[1(S),2-(isopropylidenedioxy)-ethyl]-12(S)-(tert-butyldimethylsiloxy)-5(Z),10(E)-heptadecadienoate
CAS Registry Number 94062-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O6Si
InChI InChI=1S/C31H56O6Si/c1-11-12-15-18-25(37-38(9,10)30(3,4)5)21-22-27(28-23-35-31(6,7)36-28)26(24(2)32)19-16-13-14-17-20-29(33)34-8/h13,16,21-22,25-28H,11-12,14-15,17-20,23H2,1-10H3/b16-13-,22-21+/t25-,26+,27-,28+/m0/s1
InChIKey IJGKSSYVJOUZMZ-BUCFNOBKSA-N
Molecular Weight 552.868 g/mol
SMILES C1(O[C@](CO1)([C@@](\C=C\[C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])([C@@](C(=O)C)(C\C=C/CCCC(=O)OC)[H])[H])[H])(C)C
SPLASH splash10-0002-0230900000-5fcf5c0ba4c8e7720a75
Source of Spectrum J-55-3172-25
Synonyms Methyl (5Z,8S,9S,10E,12S)-8-acetyl-12-{[tert-butyl(dimethyl)silyl]oxy}-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,10-heptadecadienoate
Wiley ID 1405988