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[(1S,7S,8S,8as)-8-[2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate, tms

View entire compound with spectra: 1 NMR

[(1S,7S,8S,8as)-8-[2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate, tms
SpectraBase Compound ID E2iwPaqEvu3
InChI InChI=1S/C26H44O5Si/c1-7-17(2)26(28)30-23-10-8-9-19-12-11-18(3)22(25(19)23)14-13-20-15-21(16-24(27)29-20)31-32(4,5)6/h11-12,17-23,25H,7-10,13-16H2,1-6H3/t17-,18-,19?,20+,21+,22-,23-,25-/m0/s1
InChIKey RTROQUPSKKYQPV-RAYPDSKJSA-N
Mol Weight 464.7 g/mol
Molecular Formula C26H44O5Si
Exact Mass 464.295801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7J0tOExFptD
Name [(1S,7S,8S,8as)-8-[2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.295801047 u
Formula C26H44O5Si
InChI InChI=1S/C26H44O5Si/c1-7-17(2)26(28)30-23-10-8-9-19-12-11-18(3)22(25(19)23)14-13-20-15-21(16-24(27)29-20)31-32(4,5)6/h11-12,17-23,25H,7-10,13-16H2,1-6H3/t17-,18-,19?,20+,21+,22-,23-,25-/m0/s1
InChIKey RTROQUPSKKYQPV-RAYPDSKJSA-N
Molecular Weight 464.718 g/mol
SMILES C1CCC2C=C[C@@]([C@@]([C@]2([C@]1(OC(=O)[C@](CC)(C)[H])[H])[H])(CC[C@]1(OC(C[C@@](C1)(O[Si](C)(C)C)[H])=O)[H])[H])(C)[H]