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2-Bromoacetic acid 3-[(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Bromoacetic acid 3-[(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl ester
SpectraBase Compound ID 5089kwIXyII
InChI InChI=1S/C29H45BrO4Si/c1-27(2,3)35(5,6)34-21-9-11-22-20(18-21)8-10-24-23(22)12-15-28(4)25(24)13-16-29(28,32)14-7-17-33-26(31)19-30/h9,11,18,23-25,32H,7-8,10,12-17,19H2,1-6H3/t23-,24-,25+,28+,29+/m1/s1
InChIKey FOMNCPDDCOGLNS-YYRCUXOLSA-N
Mol Weight 565.7 g/mol
Molecular Formula C29H45BrO4Si
Exact Mass 564.227049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvaXf1v6fuX
Name 2-Bromoacetic acid 3-[(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthren-17-yl]propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.227049460 u
Formula C29H45BrO4Si
InChI InChI=1S/C29H45BrO4Si/c1-27(2,3)35(5,6)34-21-9-11-22-20(18-21)8-10-24-23(22)12-15-28(4)25(24)13-16-29(28,32)14-7-17-33-26(31)19-30/h9,11,18,23-25,32H,7-8,10,12-17,19H2,1-6H3/t23-,24-,25+,28+,29+/m1/s1
InChIKey FOMNCPDDCOGLNS-YYRCUXOLSA-N
Molecular Weight 565.664 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(O[Si](C(C)(C)C)(C)C)=C4)[H])(CC[C@@]1(O)CCCOC(=O)CBr)[H])C