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(5R,8S,9S,10S,13E,15S)-8-(tert-Butyldimethylsilanyloxy)-[(1R)-1,2-dimethylallyl]-9,10-epoxy-5-methyl-6,12-dimethylene-4-oxacyclopentadec-13-ene-2,4-dione
SpectraBase Compound ID K1zhrM01Vkc
InChI InChI=1S/C28H44O5Si/c1-17(2)20(5)23-13-12-18(3)14-24-27(32-24)25(33-34(10,11)28(7,8)9)15-19(4)21(6)22(29)16-26(30)31-23/h12-13,20-21,23-25,27H,1,3-4,14-16H2,2,5-11H3/b13-12+/t20-,21-,23+,24+,25+,27+/m1/s1
InChIKey ZEFHBWPPAHMQAO-TWDZONSWSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H44O5Si
Exact Mass 488.295801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6e7PvniO25X
Name (5R,8S,9S,10S,13E,15S)-8-(tert-Butyldimethylsilanyloxy)-[(1R)-1,2-dimethylallyl]-9,10-epoxy-5-methyl-6,12-dimethylene-4-oxacyclopentadec-13-ene-2,4-dione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.295801047 u
Formula C28H44O5Si
InChI InChI=1S/C28H44O5Si/c1-17(2)20(5)23-13-12-18(3)14-24-27(32-24)25(33-34(10,11)28(7,8)9)15-19(4)21(6)22(29)16-26(30)31-23/h12-13,20-21,23-25,27H,1,3-4,14-16H2,2,5-11H3/b13-12+/t20-,21-,23+,24+,25+,27+/m1/s1
InChIKey ZEFHBWPPAHMQAO-TWDZONSWSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo4002382
Molecular Weight 488.740 g/mol
Optical Rotation [a]D23 = -42.0 (c = 0.27, CHCl3)
Quality 94
Reported Formula C28H44O5Si
SMILES [C@]12(CC(\C=C\[C@](OC(CC([C@@](C(C[C@@]([C@]2(O1)[H])(O[Si](C)(C)C(C)(C)C)[H])=C)(C)[H])=O)=O)([C@](C)(C(=C)C)[H])[H])=C)[H]
SPLASH splash10-001r-2693500000-cd493bf4133e76386d8f
Source of Spectrum JOC-78-4776-55 (DOI: 10.1021/jo4002382)
Thin-Layer Chromatography 0.41 (EtOAc/hexanes, 15%)
Wiley ID 1912124