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5,10-Heptadecadienoic acid, 8-acetyl-9-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester, [8R-[5Z,8R*,9R*(R*),10E,12S*]]-
SpectraBase Compound ID BJIMt6rKFj2
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-QPCGQQIYSA-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 9ZlSXdoHkFP
Name 5,10-Heptadecadienoic acid, 8-acetyl-9-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester, [8R-[5Z,8R*,9R*(R*),10E,12S*]]-
CAS Registry Number 93965-47-0
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-QPCGQQIYSA-N
Molecular Weight 552.868 g/mol
SMILES C1(OC(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])(C)C
SPLASH splash10-0f6t-0636900000-def8eb4caec7f2ddaea1
Source of Spectrum J-55-3171-25
Synonyms Methyl (5Z,8R,9R,10E,12S)-8-acetyl-12-{[tert-butyl(dimethyl)silyl]oxy}-9-(2,2-dimethyl-1,3-dioxolan-4-yl)-5,10-heptadecadienoate Methyl 8(R)-acetyl-9(R)-[1(R),2-(isopropylidenedioxy)-ethyl]-12(S)-(tert-butyldimethylsiloxy)-5(Z),10(E)-heptadecadienoate
Wiley ID 1405986