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(8S,20S)-des-A,B-8-benzoyloxy-20-[4'-(tert-butyldimethylsilyloxy)-4'-methyl-pent-(1'E)-en-yl]-pregnane
SpectraBase Compound ID IVm8pACpCeg
InChI InChI=1S/C31H50O3Si/c1-23(15-13-21-30(5,6)34-35(8,9)29(2,3)4)25-19-20-26-27(18-14-22-31(25,26)7)33-28(32)24-16-11-10-12-17-24/h10-13,15-17,23,25-27H,14,18-22H2,1-9H3/b15-13+/t23-,25+,26-,27-,31+/m0/s1
InChIKey QCQZOQVUTOUJFC-SAKIVZJFSA-N
Mol Weight 498.8 g/mol
Molecular Formula C31H50O3Si
Exact Mass 498.352922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xaK15PKx3s
Name (8S,20S)-des-A,B-8-benzoyloxy-20-[4'-(tert-butyldimethylsilyloxy)-4'-methyl-pent-(1'E)-en-yl]-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O3Si
InChI InChI=1S/C31H50O3Si/c1-23(15-13-21-30(5,6)34-35(8,9)29(2,3)4)25-19-20-26-27(18-14-22-31(25,26)7)33-28(32)24-16-11-10-12-17-24/h10-13,15-17,23,25-27H,14,18-22H2,1-9H3/b15-13+/t23-,25+,26-,27-,31+/m0/s1
InChIKey QCQZOQVUTOUJFC-SAKIVZJFSA-N
Instrument Name Kratos DS-50 TC
Ionization Type EI
Molecular Weight 498.823 g/mol
Optical Rotation [a]D = -21.2 (c = 4.95, CHCl3)
SMILES C[Si](C)(OC(C)(C)C\C=C\[C@@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(OC(c1ccccc1)=O)[H])[H])[H])(C)[H])C(C)(C)C
SPLASH splash10-05fr-0900000000-c7803c44d8a5ae97484b
Source of Spectrum US20110086824A1
Wiley ID 1861746