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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]propanenitrile
SpectraBase Compound ID L3C2gEiJJOa
InChI InChI=1S/C27H41NO2Si/c1-25(2,3)31(5,6)30-20-9-11-21-19(18-20)8-10-23-22(21)12-15-26(4)24(23)13-16-27(26,29)14-7-17-28/h9,11,18,22-24,29H,7-8,10,12-16H2,1-6H3/t22-,23-,24+,26+,27+/m1/s1
InChIKey GGLUUMPPLASRSN-IUJPGNIVSA-N
Mol Weight 439.7 g/mol
Molecular Formula C27H41NO2Si
Exact Mass 439.290656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNV9Jz3BqWL
Name 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]propanenitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41NO2Si
InChI InChI=1S/C27H41NO2Si/c1-25(2,3)31(5,6)30-20-9-11-21-19(18-20)8-10-23-22(21)12-15-26(4)24(23)13-16-27(26,29)14-7-17-28/h9,11,18,22-24,29H,7-8,10,12-16H2,1-6H3/t22-,23-,24+,26+,27+/m1/s1
InChIKey GGLUUMPPLASRSN-IUJPGNIVSA-N
Molecular Weight 439.715 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)CCC#N
SPLASH splash10-001i-0009400000-42a8229ce94258cfdf29
Source of Spectrum E1-38-2347-16
Synonyms 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]propanenitrile 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]propionitrile
Wiley ID 1598399