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(3aR,5S,8aR,9aR)-3-[(benzylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID 1DQXq2ppdIa
InChI InChI=1S/C22H29NO2/c1-15-7-6-10-22(2)12-20-17(11-19(15)22)18(21(24)25-20)14-23-13-16-8-4-3-5-9-16/h3-5,8-9,11,15,17-18,20,23H,6-7,10,12-14H2,1-2H3/t15-,17+,18?,20+,22+/m0/s1
InChIKey PZPFREVHDDOFIN-RZTMBEKQSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiviMEsB3u4
Name (3aR,5S,8aR,9aR)-3-[(benzylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-15-7-6-10-22(2)12-20-17(11-19(15)22)18(21(24)25-20)14-23-13-16-8-4-3-5-9-16/h3-5,8-9,11,15,17-18,20,23H,6-7,10,12-14H2,1-2H3/t15-,17+,18?,20+,22+/m0/s1
InChIKey PZPFREVHDDOFIN-RZTMBEKQSA-N
Literature Reference DOI 10.1002/cbdv.201000031
Molecular Weight 339.479 g/mol
SMILES N(CC1[C@@]2([H])C=C3[C@@](C)(CCC[C@]3(C)C[C@]2(OC1=O)[H])[H])Cc1ccccc1
SPLASH splash10-0a4l-3903000000-92c602fba83bae9fdf21
Source of Spectrum CBD-7-1692-3e
Synonyms (3aR,5S,8aR,9aR)-3-((benzylamino)methyl)-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Wiley ID 1786479