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(8S,20S)-des-A,B-8-benzoyloxy-20-[(4S)-tert-butyldimethylsilyloxy-pentyl]pregnane
SpectraBase Compound ID 5AhSvHdv2yQ
InChI InChI=1S/C30H50O3Si/c1-22(14-12-15-23(2)33-34(7,8)29(3,4)5)25-19-20-26-27(18-13-21-30(25,26)6)32-28(31)24-16-10-9-11-17-24/h9-11,16-17,22-23,25-27H,12-15,18-21H2,1-8H3/t22-,23-,25+,26-,27-,30+/m0/s1
InChIKey LYWLZVGPNNAUCH-JKVTXIEZSA-N
Mol Weight 486.8 g/mol
Molecular Formula C30H50O3Si
Exact Mass 486.352922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J761CiUHxf
Name (8S,20S)-des-A,B-8-benzoyloxy-20-[(4S)-tert-butyldimethylsilyloxy-pentyl]pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3Si
InChI InChI=1S/C30H50O3Si/c1-22(14-12-15-23(2)33-34(7,8)29(3,4)5)25-19-20-26-27(18-13-21-30(25,26)6)32-28(31)24-16-10-9-11-17-24/h9-11,16-17,22-23,25-27H,12-15,18-21H2,1-8H3/t22-,23-,25+,26-,27-,30+/m0/s1
InChIKey LYWLZVGPNNAUCH-JKVTXIEZSA-N
Instrument Name Kratos DS-50 TC
Ionization Type EI
Molecular Weight 486.812 g/mol
Optical Rotation [a]D = +25.0 (c = 0.55, CHCl3)
SMILES C1C[C@]2([C@]([C@](C1)(OC(c1ccccc1)=O)[H])(CC[C@@]2([C@@](C)(CCC[C@](C)(O[Si](C(C)(C)C)(C)C)[H])[H])[H])[H])C
SPLASH splash10-0bwj-0910000000-857b271d13192f685b0e
Source of Spectrum US7947666B2
Wiley ID 1861863