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(8S,9S,10R,13R,14S,17R)-4-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(8S,9S,10R,13R,14S,17R)-4-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID 3DU6BmHTfaw
InChI InChI=1S/C33H58O2Si/c1-22(2)12-11-13-23(3)25-16-17-26-24-14-15-28-30(35-36(9,10)31(4,5)6)29(34)19-21-33(28,8)27(24)18-20-32(25,26)7/h22-27H,11-21H2,1-10H3/t23-,24+,25-,26+,27+,32-,33-/m1/s1
InChIKey GHONOTSKUNFYBI-ZTFAJRPHSA-N
Mol Weight 514.9 g/mol
Molecular Formula C33H58O2Si
Exact Mass 514.420608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmkA53vMCIr
Name (8S,9S,10R,13R,14S,17R)-4-[Tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[A]phenanthren-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.420607641 u
Formula C33H58O2Si
InChI InChI=1S/C33H58O2Si/c1-22(2)12-11-13-23(3)25-16-17-26-24-14-15-28-30(35-36(9,10)31(4,5)6)29(34)19-21-33(28,8)27(24)18-20-32(25,26)7/h22-27H,11-21H2,1-10H3/t23-,24+,25-,26+,27+,32-,33-/m1/s1
InChIKey GHONOTSKUNFYBI-ZTFAJRPHSA-N
Molecular Weight 514.910 g/mol
SMILES C1(=C2[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C)CCC1=O)O[Si](C(C)(C)C)(C)C