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 Google Search
Mol Weight	348.6 g/mol
Molecular Formula	C23H40O2
Exact Mass	348.302831 g/mol

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SpectraBase Spectrum ID	7SxtpFdCNOF
Name	Acetic acid, 17-ethyl-10,13-dimethylhexadecahydrocyclopenta[A]phenanthren-3-yl ester
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.920289