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(3aR,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-7,7a-dihydrobenzo[d][1,3]dioxol-4(3aH)-one

View entire compound with spectra: 1 MS (GC)

(3aR,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-7,7a-dihydrobenzo[d][1,3]dioxol-4(3aH)-one
SpectraBase Compound ID 6hhHdZ2qrmx
InChI InChI=1S/C28H50O6Si/c1-20(2)35(21(3)4,22(5)6)33-23-17-18-24(29)28(26(23)32-27(7,8)34-28)19-15-13-11-12-14-16-25(30-9)31-10/h15,17-23,25-26H,11-14,16H2,1-10H3/b19-15-/t23-,26+,28-/m0/s1
InChIKey KFQOWKYAFNCHDT-WEOPJQABSA-N
Mol Weight 510.8 g/mol
Molecular Formula C28H50O6Si
Exact Mass 510.337666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89yCs1AQTNA
Name (3aR,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-7,7a-dihydrobenzo[d][1,3]dioxol-4(3aH)-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O6Si
InChI InChI=1S/C28H50O6Si/c1-20(2)35(21(3)4,22(5)6)33-23-17-18-24(29)28(26(23)32-27(7,8)34-28)19-15-13-11-12-14-16-25(30-9)31-10/h15,17-23,25-26H,11-14,16H2,1-10H3/b19-15-/t23-,26+,28-/m0/s1
InChIKey KFQOWKYAFNCHDT-WEOPJQABSA-N
Ionization Type EI
Molecular Weight 510.787 g/mol
Optical Rotation [a]D20 = -69.5 (c = 1.6, CHCl3)
Reported Formula C28H20O6Si
SMILES C=1C([C@]2([C@@]([C@](C1)(O[Si](C(C)C)(C(C)C)C(C)C)[H])(OC(O2)(C)C)[H])\C=C/CCCCCC(OC)OC)=O
SPLASH splash10-0ita-1920620000-c342b0a224ab4659b862
Source of Spectrum US10196337B2
Thin-Layer Chromatography Rf = 0.43 (Hexanes:EtOAc, 4:1)
Wiley ID 1872855