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Benzoic acid, 4-methoxy-, (1S,3R,3as,4S,8ar)-1,2,3,3A,4,5,8,8A-octahydro-1,3-dihydroxy-6,8A-dimethyl-3-(1-methylethyl)-4-azulenyl ester, tms

View entire compound with spectra: 1 NMR

Benzoic acid, 4-methoxy-, (1S,3R,3as,4S,8ar)-1,2,3,3A,4,5,8,8A-octahydro-1,3-dihydroxy-6,8A-dimethyl-3-(1-methylethyl)-4-azulenyl ester, tms
SpectraBase Compound ID 10t5D6Msb93
InChI InChI=1S/C26H40O5Si/c1-17(2)26(28)16-22(31-32(6,7)8)25(4)14-13-18(3)15-21(23(25)26)30-24(27)19-9-11-20(29-5)12-10-19/h9-13,17,21-23,28H,14-16H2,1-8H3/t21-,22-,23+,25-,26+/m0/s1
InChIKey QMEZSFFKCRHHDL-RZDFJLBCSA-N
Mol Weight 460.7 g/mol
Molecular Formula C26H40O5Si
Exact Mass 460.264501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48mHXI9e8Xm
Name Benzoic acid, 4-methoxy-, (1S,3R,3as,4S,8ar)-1,2,3,3A,4,5,8,8A-octahydro-1,3-dihydroxy-6,8A-dimethyl-3-(1-methylethyl)-4-azulenyl ester, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.264500918 u
Formula C26H40O5Si
InChI InChI=1S/C26H40O5Si/c1-17(2)26(28)16-22(31-32(6,7)8)25(4)14-13-18(3)15-21(23(25)26)30-24(27)19-9-11-20(29-5)12-10-19/h9-13,17,21-23,28H,14-16H2,1-8H3/t21-,22-,23+,25-,26+/m0/s1
InChIKey QMEZSFFKCRHHDL-RZDFJLBCSA-N
Molecular Weight 460.686 g/mol
SMILES [C@]1([C@]2([C@]([C@](C1)(O[Si](C)(C)C)[H])(CC=C(C[C@@]2(OC(C1=CC=C(C=C1)OC)=O)[H])C)C)[H])(C(C)C)O