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(13S,16S,17S)-16-(2-bromoethyl)-3-(tert-butyldimethylsilyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

View entire compound with spectra: 1 MS (GC)

(13S,16S,17S)-16-(2-bromoethyl)-3-(tert-butyldimethylsilyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID DkB7yeXd4WJ
InChI InChI=1S/C26H41BrO2Si/c1-25(2,3)30(5,6)29-19-8-10-20-17(15-19)7-9-22-21(20)11-13-26(4)23(22)16-18(12-14-27)24(26)28/h8,10,15,18,21-24,28H,7,9,11-14,16H2,1-6H3/t18-,21?,22?,23?,24+,26+/m1/s1
InChIKey GGVMRVIELKQPCM-VKFBFZSASA-N
Mol Weight 493.6 g/mol
Molecular Formula C26H41BrO2Si
Exact Mass 492.20592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qReLUPNqK
Name (13S,16S,17S)-16-(2-bromoethyl)-3-(tert-butyldimethylsilyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
Alternate Name(s) 2-[3'-(tert-Butyldimethylsilyloxy)-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'-.alpha.-yl]-bromoethane 2-[3-(tert-butyldimethylsilyloxy)-17.beta.-hydroxy-1,3,5(10)-estratrien-16-.alpha.-yl]-bromoethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41BrO2Si
InChI InChI=1S/C26H41BrO2Si/c1-25(2,3)30(5,6)29-19-8-10-20-17(15-19)7-9-22-21(20)11-13-26(4)23(22)16-18(12-14-27)24(26)28/h8,10,15,18,21-24,28H,7,9,11-14,16H2,1-6H3/t18-,21?,22?,23?,24+,26+/m1/s1
InChIKey GGVMRVIELKQPCM-VKFBFZSASA-N
Molecular Weight 493.601 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(O[Si](C(C)(C)C)(C)C)c4)C[C@]1(CCBr)[H])C)[H]
SPLASH splash10-000l-0000900000-811347f26746aa19140e
Source of Spectrum G2-3-515-8
Wiley ID 1661471