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20(S)-Formyl-19-nor-5.alpha.pregnan-3.beta.-yl acetate
SpectraBase Compound ID ENpJzBicCBc
InChI InChI=1S/C23H36O3/c1-14(13-24)21-8-9-22-20-6-4-16-12-17(26-15(2)25)5-7-18(16)19(20)10-11-23(21,22)3/h13-14,16-22H,4-12H2,1-3H3/t14-,16+,17+,18+,19?,20?,21-,22?,23-/m1/s1
InChIKey CXHQAHYZADNAIZ-AVGUXZSQSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SggwDHolHa
Name 20(S)-Formyl-19-nor-5.alpha.pregnan-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-14(13-24)21-8-9-22-20-6-4-16-12-17(26-15(2)25)5-7-18(16)19(20)10-11-23(21,22)3/h13-14,16-22H,4-12H2,1-3H3/t14-,16+,17+,18+,19?,20?,21-,22?,23-/m1/s1
InChIKey CXHQAHYZADNAIZ-AVGUXZSQSA-N
Molecular Weight 360.538 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])[H])[H])CC[C@@]1([C@@](C=O)(C)[H])[H])C
SPLASH splash10-0udi-0289000000-f59b6a6ddd87710609c7
Source of Spectrum C-114-316-68
Synonyms (3beta,5alpha,17beta)-17-[(1S)-1-methyl-2-oxoethyl]estran-3-yl acetate
Wiley ID 1348668