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(3S,5S,7S,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
SpectraBase Compound ID J2hecbhvHJ5
InChI InChI=1S/C33H62O2Si/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/h22-30,34H,11-21H2,1-10H3/t23-,24-,25+,26-,27+,28+,29+,30+,32+,33-/m1/s1
InChIKey XNBTZYYYRNHFBB-HMIZSLMESA-N
Mol Weight 518.9 g/mol
Molecular Formula C33H62O2Si
Exact Mass 518.451908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DW358EMIrsA
Name (3S,5S,7S,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H62O2Si
InChI InChI=1S/C33H62O2Si/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/h22-30,34H,11-21H2,1-10H3/t23-,24-,25+,26-,27+,28+,29+,30+,32+,33-/m1/s1
InChIKey XNBTZYYYRNHFBB-HMIZSLMESA-N
Molecular Weight 518.942 g/mol
SMILES O[C@@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CC[C@@]2([C@@]2([C@@](C[C@@](O[Si](C(C)(C)C)(C)C)(CC2)[H])([H])C1)C)[H])C)[H])[H])[H]
SPLASH splash10-03di-0002900000-39747a302e7ed04d25db
Source of Spectrum K1-0-3700-23
Synonyms (3S,5S,7S,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
Wiley ID 1589262