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17.beta.-Hydroxy-3.alpha.-phthalimido-4-androstene tert-butyldimethylsilyl ether
SpectraBase Compound ID J5Py0DYdQUI
InChI InChI=1S/C33H47NO3Si/c1-31(2,3)38(6,7)37-28-15-14-26-25-13-12-21-20-22(16-18-32(21,4)27(25)17-19-33(26,28)5)34-29(35)23-10-8-9-11-24(23)30(34)36/h8-11,20,22,25-28H,12-19H2,1-7H3/t22-,25+,26+,27+,28+,32+,33+/m1/s1
InChIKey CLUOEYJFCCBUQV-OEWNGDDISA-N
Mol Weight 533.8 g/mol
Molecular Formula C33H47NO3Si
Exact Mass 533.332521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSFEC6N7Zm2
Name 17.beta.-Hydroxy-3.alpha.-phthalimido-4-androstene tert-butyldimethylsilyl ether
Alternate Name(s) 2-((3alpha,17beta)-17-{[tert-butyl(dimethyl)silyl]oxy}androst-4-en-3-yl)-1H-isoindole-1,3(2H)-dione
CAS Registry Number 91384-97-3
Comments Less than 3 mono-isotopic peaks
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Formula C33H47NO3Si
InChI InChI=1S/C33H47NO3Si/c1-31(2,3)38(6,7)37-28-15-14-26-25-13-12-21-20-22(16-18-32(21,4)27(25)17-19-33(26,28)5)34-29(35)23-10-8-9-11-24(23)30(34)36/h8-11,20,22,25-28H,12-19H2,1-7H3/t22-,25+,26+,27+,28+,32+,33+/m1/s1
InChIKey CLUOEYJFCCBUQV-OEWNGDDISA-N
Molecular Weight 533.828 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@]1(C=C2CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(O[Si](C(C)(C)C)(C)C)[H])[H])[H])[H])=O
SPLASH splash10-004i-0000900000-beb380987a1e5cd72d58
Source of Spectrum J-49-3843-0
Wiley ID 1403730