For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(8S,20S)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-allyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
SpectraBase Compound ID 1A9iqGDOZvp
InChI InChI=1S/C26H48O3Si/c1-9-28-24(27)17-19-25(6,7)20(5)21-15-16-22-23(14-13-18-26(21,22)8)29-30(10-2,11-3)12-4/h17,19-23H,9-16,18H2,1-8H3/t20-,21+,22-,23-,26+/m0/s1
InChIKey ZOGDKYUUFFQKCB-PICATGQPSA-N
Mol Weight 436.8 g/mol
Molecular Formula C26H48O3Si
Exact Mass 436.337272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9prSbgo07Gr
Name (8S,20S)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-allyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O3Si
InChI InChI=1S/C26H48O3Si/c1-9-28-24(27)17-19-25(6,7)20(5)21-15-16-22-23(14-13-18-26(21,22)8)29-30(10-2,11-3)12-4/h17,19-23H,9-16,18H2,1-8H3/t20-,21+,22-,23-,26+/m0/s1
InChIKey ZOGDKYUUFFQKCB-PICATGQPSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 436.752 g/mol
Optical Rotation [a]D = -4.6 (c = 1.0, CHCl3)
Reported Formula C26H48O3Si
SMILES C1C[C@]2([C@]([C@](C1)(O[Si](CC)(CC)CC)[H])(CC[C@@]2([C@](C)(C(C)(C)C=CC(OCC)=O)[H])[H])[H])C
SPLASH splash10-08fr-0980300000-3e6bc391057eadaa73f2
Source of Spectrum AF-55-SM10-33
Wiley ID 1852061