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(8S,20R)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-propyl)-pregnan-8.beta.-ol
SpectraBase Compound ID DLGRcXtMttU
InChI InChI=1S/C20H36O3/c1-6-23-18(22)11-13-19(3,4)14(2)15-9-10-16-17(21)8-7-12-20(15,16)5/h14-17,21H,6-13H2,1-5H3/t14-,15-,16+,17+,20-/m1/s1
InChIKey LRVFEOPYJOHPBE-GFAJBQDWSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lcu4QfSklI
Name (8S,20R)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-propyl)-pregnan-8.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-6-23-18(22)11-13-19(3,4)14(2)15-9-10-16-17(21)8-7-12-20(15,16)5/h14-17,21H,6-13H2,1-5H3/t14-,15-,16+,17+,20-/m1/s1
InChIKey LRVFEOPYJOHPBE-GFAJBQDWSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 324.505 g/mol
Optical Rotation [a]D = +15.3 (c 1.0, CHCl3)
Reported Formula C20H36O3
SMILES O[C@@]1([C@]2([C@](CCC1)([C@](CC2)([C@@](C)(C(C)(C)CCC(OCC)=O)[H])[H])C)[H])[H]
SPLASH splash10-03dl-2900000000-c8d4831a105f822e90c1
Source of Spectrum AF-55-SM11-34
Wiley ID 1852062