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(8S,20S)-des-A,B-8-benzoyloxy-20-[(4R)-hydroxy-pentyl]pregnane
SpectraBase Compound ID ANQkd93HSSF
InChI InChI=1S/C24H36O3/c1-17(9-7-10-18(2)25)20-14-15-21-22(13-8-16-24(20,21)3)27-23(26)19-11-5-4-6-12-19/h4-6,11-12,17-18,20-22,25H,7-10,13-16H2,1-3H3/t17-,18+,20+,21-,22-,24+/m0/s1
InChIKey TWUXUAHTOFFUTE-WLUDWXDSSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LyhktNpLIb
Name (8S,20S)-des-A,B-8-benzoyloxy-20-[(4R)-hydroxy-pentyl]pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-17(9-7-10-18(2)25)20-14-15-21-22(13-8-16-24(20,21)3)27-23(26)19-11-5-4-6-12-19/h4-6,11-12,17-18,20-22,25H,7-10,13-16H2,1-3H3/t17-,18+,20+,21-,22-,24+/m0/s1
InChIKey TWUXUAHTOFFUTE-WLUDWXDSSA-N
Instrument Name Kratos DS-50 TC
Ionization Type EI
Molecular Weight 372.549 g/mol
Optical Rotation [a]D = +18.5 (c = 1.0, CHCl3)
SMILES O[C@@](CCC[C@@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(OC(c1ccccc1)=O)[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0pbi-0940000000-120e008722c2c7e51e92
Source of Spectrum EP2240463A2
Wiley ID 1843942