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(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid, tms

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(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid, tms
SpectraBase Compound ID 81DqRTszasA
InChI InChI=1S/C23H36O3Si/c1-22-12-10-16(24)14-15(22)6-7-17-18-8-9-20(21(25)26-27(3,4)5)23(18,2)13-11-19(17)22/h14,17-20H,6-13H2,1-5H3/t17-,18-,19-,20+,22-,23-/m0/s1
InChIKey VTAGHQWLIJELPE-ACXQXYJUSA-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 H476UhtWkqB
Name (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.243371551 u
Formula C23H36O3Si
InChI InChI=1S/C23H36O3Si/c1-22-12-10-16(24)14-15(22)6-7-17-18-8-9-20(21(25)26-27(3,4)5)23(18,2)13-11-19(17)22/h14,17-20H,6-13H2,1-5H3/t17-,18-,19-,20+,22-,23-/m0/s1
InChIKey VTAGHQWLIJELPE-ACXQXYJUSA-N
Molecular Weight 388.623 g/mol
SMILES [C@]1([H])(CC[C@@]2([C@]1(C)CC[C@]1([C@@]2([H])CCC2=CC(=O)CC[C@]12C)[H])[H])C(O[Si](C)(C)C)=O