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3-(7-Acetoxy-4b-methyl-2-oxotetradecahydrophenanthren-1-yl)-propionic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-(7-Acetoxy-4b-methyl-2-oxotetradecahydrophenanthren-1-yl)-propionic acid, methyl ester
SpectraBase Compound ID 8CrYEPSh17N
InChI InChI=1S/C21H32O5/c1-13(22)26-15-10-11-21(2)14(12-15)4-5-16-17(6-9-20(24)25-3)19(23)8-7-18(16)21/h14-18H,4-12H2,1-3H3
InChIKey FJSDNEXWQMXWQG-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdDNLTLeE7E
Name 3-(7-Acetoxy-4B-methyl-2-oxotetradecahydrophenanthren-1-yl)-propionic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-13(22)26-15-10-11-21(2)14(12-15)4-5-16-17(6-9-20(24)25-3)19(23)8-7-18(16)21/h14-18H,4-12H2,1-3H3
InChIKey FJSDNEXWQMXWQG-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C12CC(OC(C)=O)CCC2(C2C(CC1)C(CCC(=O)OC)C(=O)CC2)C