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(3aR,8aR,9aR)-3-[[(2-methoxyphenyl)methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

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

(3aR,8aR,9aR)-3-[[(2-methoxyphenyl)methylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID I4aJIiYdJMH
InChI InChI=1S/C23H31NO3/c1-15-7-6-10-23(2)12-21-17(11-19(15)23)18(22(25)27-21)14-24-13-16-8-4-5-9-20(16)26-3/h4-5,8-9,17-19,21,24H,1,6-7,10-14H2,2-3H3/t17-,18?,19?,21-,23-/m1/s1
InChIKey REYKQEWDDZDTTM-MRMDNLSOSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzTZrbfGaGl
Name (3ar,8ar,9ar)-3-[[(2-methoxyphenyl)methylamino]methyl]-8A-methyl-5-methylene-3A,4,4A,6,7,8,9,9A-octahydro-3H-benzo[F]benzofuran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.230393859 u
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-15-7-6-10-23(2)12-21-17(11-19(15)23)18(22(25)27-21)14-24-13-16-8-4-5-9-20(16)26-3/h4-5,8-9,17-19,21,24H,1,6-7,10-14H2,2-3H3/t17-,18?,19?,21-,23-/m1/s1
InChIKey REYKQEWDDZDTTM-MRMDNLSOSA-N
Molecular Weight 369.505 g/mol
SMILES C1(C([C@]2(CC3C(=C)CCC[C@@]3(C[C@]2(O1)[H])C)[H])CNCC=1C(OC)=CC=CC1)=O