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7-Hydroxy-1,4A-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4B,5,6,10,10A-octahydrophenanthrene-1-carboxylic acid, tms derivative
SpectraBase Compound ID 7pr3ebkCnCc
InChI InChI=1S/C23H38O4Si/c1-15(2)23(26)12-9-17-16(14-23)18(24)13-19-21(17,3)10-8-11-22(19,4)20(25)27-28(5,6)7/h14-15,17,19,26H,8-13H2,1-7H3
InChIKey JPOYLUSQPHFNFV-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C23H38O4Si
Exact Mass 406.253936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4d0hK8Ep4s
Name 7-Hydroxy-1,4A-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4B,5,6,10,10A-octahydrophenanthrene-1-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.253936235 u
Formula C23H38O4Si
InChI InChI=1S/C23H38O4Si/c1-15(2)23(26)12-9-17-16(14-23)18(24)13-19-21(17,3)10-8-11-22(19,4)20(25)27-28(5,6)7/h14-15,17,19,26H,8-13H2,1-7H3
InChIKey JPOYLUSQPHFNFV-UHFFFAOYSA-N
Molecular Weight 406.638 g/mol
SMILES C1(CCCC2(C1CC(C=1C2CCC(C1)(C(C)C)O)=O)C)(C(=O)O[Si](C)(C)C)C