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(3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol

View entire compound with spectra: 2 MS (GC)

(3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol
SpectraBase Compound ID BgmhuNthHUd
InChI InChI=1S/C28H52O6Si/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/h15,17-26,29H,11-14,16H2,1-10H3/b19-15-/t23-,24+,26+,28-/m0/s1
InChIKey PLPHKTLVPYNTBU-QKIJVTHQSA-N
Mol Weight 512.8 g/mol
Molecular Formula C28H52O6Si
Exact Mass 512.353316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X9sG68zw7U
Name (3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-7-((triisopropylsilyl)oxy)-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol
Appearance Clear colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O6Si
InChI InChI=1S/C28H52O6Si/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/h15,17-26,29H,11-14,16H2,1-10H3/b19-15-/t23-,24+,26+,28-/m0/s1
InChIKey PLPHKTLVPYNTBU-QKIJVTHQSA-N
Ionization Type EI
Molecular Weight 512.803 g/mol
Optical Rotation [a]D20 = +25.4 (c = 1.0, CHCl3)
Reported Formula C28H22O6Si
SMILES O[C@@]1(C=C[C@@]([C@@]2([C@]1(OC(O2)(C)C)\C=C/CCCCCC(OC)OC)[H])(O[Si](C(C)C)(C(C)C)C(C)C)[H])[H]
SPLASH splash10-000b-0005900000-a9a34c36c9e37ab63df9
Source of Spectrum US10196337B2
Thin-Layer Chromatography Rf = 0.37 (Hexanes:EtOAc, 4:1)
Wiley ID 1872854