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5-Octenoic acid, 8-[6-[1-(acetyloxy)-2-nitro-3-(2-pentyl-1,3-dioxolan-2-yl)propyl]-2,2 -dimethyl-1,3-dioxan-4-yl]-8-[[(1,1-dimethylethyl)diphenylsilyl]oxy]- , methyl ester
SpectraBase Compound ID 3ciRy0l22B5
InChI InChI=1S/C44H65NO11Si/c1-9-10-21-28-44(51-29-30-52-44)32-36(45(48)49)41(53-33(2)46)39-31-38(54-43(6,7)55-39)37(26-19-11-12-20-27-40(47)50-8)56-57(42(3,4)5,34-22-15-13-16-23-34)35-24-17-14-18-25-35/h11,13-19,22-25,36-39,41H,9-10,12,20-21,26-32H2,1-8H3/b19-11+
InChIKey JMSCYCKHNQUEID-YBFXNURJSA-N
Mol Weight 812.1 g/mol
Molecular Formula C44H65NO11Si
Exact Mass 811.432688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yRL3Xtyip0
Name 5-Octenoic acid, 8-[6-[1-(acetyloxy)-2-nitro-3-(2-pentyl-1,3-dioxolan-2-yl)propyl]-2,2 -dimethyl-1,3-dioxan-4-yl]-8-[[(1,1-dimethylethyl)diphenylsilyl]oxy]- , methyl ester
CAS Registry Number 74581-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H65NO11Si
InChI InChI=1S/C44H65NO11Si/c1-9-10-21-28-44(51-29-30-52-44)32-36(45(48)49)41(53-33(2)46)39-31-38(54-43(6,7)55-39)37(26-19-11-12-20-27-40(47)50-8)56-57(42(3,4)5,34-22-15-13-16-23-34)35-24-17-14-18-25-35/h11,13-19,22-25,36-39,41H,9-10,12,20-21,26-32H2,1-8H3/b19-11+
InChIKey JMSCYCKHNQUEID-YBFXNURJSA-N
Molecular Weight 812.085 g/mol
SMILES C(N(=O)=O)(C(C1OC(C)(C)OC(C1)C(O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C\C=C\CCCC(=O)OC)OC(=O)C)CC1(OCCO1)CCCCC
SPLASH splash10-0006-0901204000-1beba99dcb7114c6044b
Source of Spectrum I-59-2734-0
Synonyms 2,2-Dimethyl-4-(2-nitro-1-acetoxy-4,4-(ethylenedioxy)nonyl)-6-(methoxy-1,3-dioxane Methyl (5E)-8-{6-[1-(acetyloxy)-2-nitro-3-(2-pentyl-1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxan-4-yl}-8-[(tert-butyldiphenylsilyl)oxy]oct-5-enoate
Wiley ID 1417311