1-[[(3aR,8aR,9aR)-2-keto-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]isonipecotic acid ethyl ester

SpectraBase Compound ID	4q6BZL9Zebe
InChI	InChI=1S/C23H35NO4/c1-4-27-21(25)16-7-10-24(11-8-16)14-18-17-12-19-15(2)6-5-9-23(19,3)13-20(17)28-22(18)26/h16-20H,2,4-14H2,1,3H3/t17-,18?,19?,20-,23-/m1/s1
InChIKey	DMLONNLDGVEKRB-GGPJSNFESA-N Google Search
Mol Weight	389.5 g/mol
Molecular Formula	C23H35NO4
Exact Mass	389.256609 g/mol

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SpectraBase Spectrum ID	HBoUASySTOA
Name	1-[[(3aR,8aR,9aR)-2-keto-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]isonipecotic acid ethyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H35NO4
InChI	InChI=1S/C23H35NO4/c1-4-27-21(25)16-7-10-24(11-8-16)14-18-17-12-19-15(2)6-5-9-23(19,3)13-20(17)28-22(18)26/h16-20H,2,4-14H2,1,3H3/t17-,18?,19?,20-,23-/m1/s1
InChIKey	DMLONNLDGVEKRB-GGPJSNFESA-N
Molecular Weight	389.536 g/mol
SMILES	C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCC(C(=O)OCC)CC1
SPLASH	splash10-00di-0900000000-21640d2128d62edc9056
Synonyms	1-[[(3aR,8aR,9aR)-8a-methyl-5-methylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[[(3aR,8aR,9aR)-8a-methyl-5-methylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]piperidine-4-carboxylate Ethyl 1-[[(3aR,8aR,9aR)-8a-methyl-5-methylidene-2-oxidanylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-3-yl]methyl]piperidine-4-carboxylate Ethyl 1-[[(3aR,8aR,9aR)-8a-methyl-5-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-3-yl]methyl]piperidine-4-carboxylate
Wiley ID	1453807