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(3S,5R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one

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

(3S,5R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
SpectraBase Compound ID BBCGgQiJ6lP
InChI InChI=1S/C33H60O2Si/c1-22(2)12-11-13-23(3)26-14-15-27-30-28(17-19-33(26,27)8)32(7)18-16-25(20-24(32)21-29(30)34)35-36(9,10)31(4,5)6/h22-28,30H,11-21H2,1-10H3/t23-,24-,25+,26-,27+,28+,30+,32+,33-/m1/s1
InChIKey LDNBTAOTRJXCRC-IPHFYELJSA-N
Mol Weight 516.9 g/mol
Molecular Formula C33H60O2Si
Exact Mass 516.436258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TAGD4sH7AH
Name (3S,5R,8R,9S,10S,13R,14S,17R)-3-[Tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[A]phenanthren-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.436257705 u
Formula C33H60O2Si
InChI InChI=1S/C33H60O2Si/c1-22(2)12-11-13-23(3)26-14-15-27-30-28(17-19-33(26,27)8)32(7)18-16-25(20-24(32)21-29(30)34)35-36(9,10)31(4,5)6/h22-28,30H,11-21H2,1-10H3/t23-,24-,25+,26-,27+,28+,30+,32+,33-/m1/s1
InChIKey LDNBTAOTRJXCRC-IPHFYELJSA-N
Molecular Weight 516.926 g/mol
SMILES [C@@]12([C@]([C@@]3(C(C[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C