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6S,8S,10S,13R,14R,E)-8-((tert-Butyldimethylsilyl)oxy)-14-((E)-2-iodovinyl)-6,10,13-trimethyloxacyclotetradec-11-en-3-yn-2-one

View entire compound with spectra: 1 MS (GC)

6S,8S,10S,13R,14R,E)-8-((tert-Butyldimethylsilyl)oxy)-14-((E)-2-iodovinyl)-6,10,13-trimethyloxacyclotetradec-11-en-3-yn-2-one
SpectraBase Compound ID 3SEPBh3IPpp
InChI InChI=1S/C24H39IO3Si/c1-18-10-9-11-23(26)27-22(14-15-25)20(3)13-12-19(2)17-21(16-18)28-29(7,8)24(4,5)6/h12-15,18-22H,10,16-17H2,1-8H3/b13-12+,15-14+/t18-,19+,20+,21-,22-/m0/s1
InChIKey DCBZNPWYOJGGIA-FUMNYFJXSA-N
Mol Weight 530.6 g/mol
Molecular Formula C24H39IO3Si
Exact Mass 530.171317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MBEs8lIwS4
Name 6S,8S,10S,13R,14R,E)-8-((tert-Butyldimethylsilyl)oxy)-14-((E)-2-iodovinyl)-6,10,13-trimethyloxacyclotetradec-11-en-3-yn-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39IO3Si
InChI InChI=1S/C24H39IO3Si/c1-18-10-9-11-23(26)27-22(14-15-25)20(3)13-12-19(2)17-21(16-18)28-29(7,8)24(4,5)6/h12-15,18-22H,10,16-17H2,1-8H3/b13-12+,15-14+/t18-,19+,20+,21-,22-/m0/s1
InChIKey DCBZNPWYOJGGIA-FUMNYFJXSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 530.562 g/mol
Optical Rotation [a]D20 = +24.8 (c = 1.4, CHCl3)
Reported Formula C24H39O2ISi
SMILES [C@@]1(C[C@@](\C=C\[C@]([C@](\C=C\I)(OC(C#CC[C@@](C1)(C)[H])=O)[H])(C)[H])(C)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-016r-5930000000-2b37fbd560edc33ad95e
Source of Spectrum QE-25-SM10-19
Wiley ID 1846003