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(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-(3-oxidanylpropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID DkCLdwjSTxG
InChI InChI=1S/C27H44O3Si/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/h9,11,18,22-24,28-29H,7-8,10,12-17H2,1-6H3/t22-,23-,24+,26+,27+/m1/s1
InChIKey KWDIYOICIWSMOH-IUJPGNIVSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44O3Si
Exact Mass 444.305972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xK79gau7WJ
Name (8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-(3-oxidanylpropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Alternate Name(s) (8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-(3-hydroxypropyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
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Formula C27H44O3Si
InChI InChI=1S/C27H44O3Si/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/h9,11,18,22-24,28-29H,7-8,10,12-17H2,1-6H3/t22-,23-,24+,26+,27+/m1/s1
InChIKey KWDIYOICIWSMOH-IUJPGNIVSA-N
Molecular Weight 444.731 g/mol
SMILES O[C@]1(CCCO)[C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(CC1)[H])C
SPLASH splash10-0006-5000900000-461b62bfad560e312da0
Source of Spectrum E1-36-2982-7
Wiley ID 1574689