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(1R,4as,7S)-7-Ethenyl-1,4A,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10A-octahydrophenanthrene-1-carboxylic acid, tms ester
SpectraBase Compound ID DHsBOxTN9D7
InChI InChI=1S/C23H36O3Si/c1-8-21(2)13-10-17-16(15-21)18(24)14-19-22(17,3)11-9-12-23(19,4)20(25)26-27(5,6)7/h8,19H,1,9-15H2,2-7H3/t19?,21-,22+,23+/m0/s1
InChIKey NFWZDWRNRCZXOE-IIIJNFDTSA-N
Mol Weight 388.6 g/mol
Molecular Formula C23H36O3Si
Exact Mass 388.243372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FI8fZZhrVmi
Name (1R,4as,7S)-7-Ethenyl-1,4A,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10A-octahydrophenanthrene-1-carboxylic acid, tms ester
Comments Computed using HOSE algorithm
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Exact Mass 388.243371551 u
Formula C23H36O3Si
InChI InChI=1S/C23H36O3Si/c1-8-21(2)13-10-17-16(15-21)18(24)14-19-22(17,3)11-9-12-23(19,4)20(25)26-27(5,6)7/h8,19H,1,9-15H2,2-7H3/t19?,21-,22+,23+/m0/s1
InChIKey NFWZDWRNRCZXOE-IIIJNFDTSA-N
Molecular Weight 388.623 g/mol
SMILES C1C[C@@](C2CC(C3=C([C@]2(C1)C)CC[C@@](C3)(C=C)C)=O)(C)C(=O)O[Si](C)(C)C