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3-(tert-Butyldimethylsilyloxy)-14.beta.-hydroxyestrone
SpectraBase Compound ID AGJ4738ZpdQ
InChI InChI=1S/C24H36O3Si/c1-22(2,3)28(5,6)27-17-8-9-18-16(15-17)7-10-20-19(18)11-13-23(4)21(25)12-14-24(20,23)26/h8-9,15,19-20,26H,7,10-14H2,1-6H3/t19-,20-,23-,24+/m1/s1
InChIKey QXPDQWMQGLISSY-DVJXIFHOSA-N
Mol Weight 400.6 g/mol
Molecular Formula C24H36O3Si
Exact Mass 400.243372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ax0svHcOaM
Name 3-(tert-Butyldimethylsilyloxy)-14.beta.-hydroxyestrone
Alternate Name(s) (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-14-oxidanyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one
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Formula C24H36O3Si
InChI InChI=1S/C24H36O3Si/c1-22(2,3)28(5,6)27-17-8-9-18-16(15-17)7-10-20-19(18)11-13-23(4)21(25)12-14-24(20,23)26/h8-9,15,19-20,26H,7,10-14H2,1-6H3/t19-,20-,23-,24+/m1/s1
InChIKey QXPDQWMQGLISSY-DVJXIFHOSA-N
Molecular Weight 400.634 g/mol
SMILES O[C@]12[C@@](C(=O)CC2)(CC[C@]2([C@]1(CCc1cc(O[Si](C(C)(C)C)(C)C)ccc21)[H])[H])C
SPLASH splash10-0006-3109300000-f7de82b9fa69a52c7b3a
Source of Spectrum J-61-6698-25
Wiley ID 1369558