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Acetic acid, 17-ethyl-10,13-dimethylhexadecahydrocyclopenta[A]phenanthren-3-yl ester

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Acetic acid, 17-ethyl-10,13-dimethylhexadecahydrocyclopenta[A]phenanthren-3-yl ester
SpectraBase Compound ID LuaEBhgcS3q
InChI InChI=1S/C21H36.C2H4O2/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3;1-2(3)4/h15-19H,4-14H2,1-3H3;1H3,(H,3,4)
InChIKey SPGZXOVITGKUML-UHFFFAOYSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UWAyr8jsJb
Name Acetic acid, 17-ethyl-10,13-dimethylhexadecahydrocyclopenta[A]phenanthren-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.302830526 u
Formula C23H40O2
InChI InChI=1S/C21H36.C2H4O2/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3;1-2(3)4/h15-19H,4-14H2,1-3H3;1H3,(H,3,4)
InChIKey SPGZXOVITGKUML-UHFFFAOYSA-N
Molecular Weight 348.571 g/mol
Nominal Mass 348 u
SMILES OC(C)=O.C1CCC2(C3C(CCC2C1)C1C(CC3)(C(CC1)CC)C)C