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7-Acetoxyperhydrophenanthren-2-one, 4b-methyl-1-(2-acetoxy-2-cyano)ethyl-

View entire compound with spectra: 5 MS (GC)

7-Acetoxyperhydrophenanthren-2-one, 4b-methyl-1-(2-acetoxy-2-cyano)ethyl-
SpectraBase Compound ID J6CIBVLgkOU
InChI InChI=1S/C22H31NO5/c1-13(24)27-16-8-9-22(3)15(10-16)4-5-18-19(21(26)7-6-20(18)22)11-17(12-23)28-14(2)25/h15-20H,4-11H2,1-3H3
InChIKey ZZAOLZISNKGESH-UHFFFAOYSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E9Q61r466f
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-13(24)27-16-8-9-22(3)15(10-16)4-5-18-19(21(26)7-6-20(18)22)11-17(12-23)28-14(2)25/h15-20H,4-11H2,1-3H3
InChIKey ZZAOLZISNKGESH-UHFFFAOYSA-N
Molecular Weight 389.2194
SMILES C1C2(C(CCC3C(CC(OC(C)=O)C#N)C(=O)CCC23)CC(OC(C)=O)C1)C
SPLASH splash10-002f-9761000000-c659f2efc147354e12d6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany