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(3aR,5S,8aR,9aR)-3-[(Hexylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID JRFLUpQBdon
InChI InChI=1S/C21H35NO2/c1-4-5-6-7-11-22-14-17-16-12-18-15(2)9-8-10-21(18,3)13-19(16)24-20(17)23/h12,15-17,19,22H,4-11,13-14H2,1-3H3/t15-,16+,17?,19+,21+/m0/s1
InChIKey TZFHMUHDSVYPKY-BTLTWMERSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CaU8yjzXgH
Name (3aR,5S,8aR,9aR)-3-[(Hexylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one
Alternate Name(s) (3aR,5S,8aR,9aR)-3-((hexylamino)methyl)-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-4-5-6-7-11-22-14-17-16-12-18-15(2)9-8-10-21(18,3)13-19(16)24-20(17)23/h12,15-17,19,22H,4-11,13-14H2,1-3H3/t15-,16+,17?,19+,21+/m0/s1
InChIKey TZFHMUHDSVYPKY-BTLTWMERSA-N
Literature Reference DOI 10.1002/cbdv.201000031
Molecular Weight 333.516 g/mol
SMILES N(CC1[C@@]2([H])C=C3[C@@](C)(CCC[C@]3(C)C[C@]2(OC1=O)[H])[H])CCCCCC
SPLASH splash10-03di-2291000000-90e050934ed7d54d192d
Source of Spectrum CBD-7-1695-3i
Wiley ID 1786483