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(5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,16.beta.)-16-Hydroxy-17-((3-methylbutanoyl)oxy)kauran-18-oic acid, tms ester

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(5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,16.beta.)-16-Hydroxy-17-((3-methylbutanoyl)oxy)kauran-18-oic acid, tms ester
SpectraBase Compound ID GzaykikMBiK
InChI InChI=1S/C28H48O5Si/c1-19(2)15-23(29)32-18-28(31)17-27-14-11-21-25(3,22(27)10-9-20(28)16-27)12-8-13-26(21,4)24(30)33-34(5,6)7/h19-22,31H,8-18H2,1-7H3/t20-,21+,22+,25-,26-,27+,28+/m1/s1
InChIKey YYGCPUSKBVFIPJ-CXTFRVBWSA-N
Mol Weight 492.8 g/mol
Molecular Formula C28H48O5Si
Exact Mass 492.327101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nxLRqrubLN
Name (5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,16.beta.)-16-Hydroxy-17-((3-methylbutanoyl)oxy)kauran-18-oic acid, tms ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.327101176 u
Formula C28H48O5Si
InChI InChI=1S/C28H48O5Si/c1-19(2)15-23(29)32-18-28(31)17-27-14-11-21-25(3,22(27)10-9-20(28)16-27)12-8-13-26(21,4)24(30)33-34(5,6)7/h19-22,31H,8-18H2,1-7H3/t20-,21+,22+,25-,26-,27+,28+/m1/s1
InChIKey YYGCPUSKBVFIPJ-CXTFRVBWSA-N
Molecular Weight 492.772 g/mol
SMILES C1C[C@]([C@@]2([C@@](C1)([C@@]1(CC[C@@]3(C[C@@]1(CC2)C[C@@]3(COC(CC(C)C)=O)O)[H])[H])C)[H])(C(O[Si](C)(C)C)=O)C