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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjQrrlfOw4k
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(CC1)[H])C)CCCOC(=O)CBr
SPLASH splash10-00dj-9000000000-59d60dd56d12ddfa172e
Source of Spectrum E1-36-2982-9
Synonyms 3-[(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl 2-bromanylethanoate 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 2-bromoacetate
Wiley ID 1574687