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5-Octenoic acid, 8-[4-(acetyloxy)tetrahydro-5-(3-oxo-1-octenyl)-2-furanyl]-8-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, methyl ester, [2S-[2.alpha.(5Z,8S*),4.beta.,5.alpha.(E)]]-
SpectraBase Compound ID 6Vvd2xWuzj7
InChI InChI=1S/C39H54O7Si/c1-7-8-13-20-31(41)27-28-34-36(44-30(2)40)29-37(45-34)35(25-18-9-10-19-26-38(42)43-6)46-47(39(3,4)5,32-21-14-11-15-22-32)33-23-16-12-17-24-33/h9,11-12,14-18,21-24,27-28,34-37H,7-8,10,13,19-20,25-26,29H2,1-6H3/b18-9-,28-27+/t34-,35+,36+,37-/m0/s1
InChIKey RBGBQGSBNFGVPP-OTJZAHSWSA-N
Mol Weight 662.9 g/mol
Molecular Formula C39H54O7Si
Exact Mass 662.363881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44RKf5WqdE
Name 5-Octenoic acid, 8-[4-(acetyloxy)tetrahydro-5-(3-oxo-1-octenyl)-2-furanyl]-8-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, methyl ester, [2S-[2.alpha.(5Z,8S*),4.beta.,5.alpha.(E)]]-
CAS Registry Number 80126-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H54O7Si
InChI InChI=1S/C39H54O7Si/c1-7-8-13-20-31(41)27-28-34-36(44-30(2)40)29-37(45-34)35(25-18-9-10-19-26-38(42)43-6)46-47(39(3,4)5,32-21-14-11-15-22-32)33-23-16-12-17-24-33/h9,11-12,14-18,21-24,27-28,34-37H,7-8,10,13,19-20,25-26,29H2,1-6H3/b18-9-,28-27+/t34-,35+,36+,37-/m0/s1
InChIKey RBGBQGSBNFGVPP-OTJZAHSWSA-N
Molecular Weight 662.939 g/mol
SMILES [C@@](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)([C@]1(O[C@@](\C=C\C(=O)CCCCC)([C@@](C1)(OC(=O)C)[H])[H])[H])(C\C=C/CCCC(=O)OC)[H]
SPLASH splash10-0005-7902112000-6f7cfe2194133a43dcba
Source of Spectrum I-59-2735-0
Synonyms Methyl (5Z,8R)-8-{(2S,4R,5S)-4-(acetyloxy)-5-[(1E)-3-oxo-1-octenyl]tetrahydro-2-furanyl}-8-{[tert-butyl(diphenyl)silyl]oxy}-5-octenoate Methyl 11R-acetoxy-8R-tert-butyldiphenylsilyloxy-15-oxo-9s,12S-oxyeicosa-5z,13e-dienoate
Wiley ID 1413656