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(4aS,8aS)-4-[2-(3-furyl)ethyl]-N-methoxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-imine
SpectraBase Compound ID EAy34VhehBi
InChI InChI=1S/C21H31NO2/c1-15-17(8-7-16-9-12-24-14-16)21(4)11-6-10-20(2,3)19(21)13-18(15)22-23-5/h9,12,14,19H,6-8,10-11,13H2,1-5H3/t19-,21+/m0/s1
InChIKey FDZVVETUNUEEOG-PZJWPPBQSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ie42HY87hD
Name (4aS,8aS)-4-[2-(3-furyl)ethyl]-N-methoxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-imine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-15-17(8-7-16-9-12-24-14-16)21(4)11-6-10-20(2,3)19(21)13-18(15)22-23-5/h9,12,14,19H,6-8,10-11,13H2,1-5H3/t19-,21+/m0/s1
InChIKey FDZVVETUNUEEOG-PZJWPPBQSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00200
Molecular Weight 329.484 g/mol
Optical Rotation [a]D20 = -20 (c = 0.4, CHCl3)
Reported Formula C21H31NO2
SMILES C1C[C@]2([C@@](C(C1)(C)C)([H])CC(C(=C2CCc1cocc1)C)=NOC)C
SPLASH splash10-053s-9060000000-647488af6de9b11014c4
Source of Spectrum G4-83-2161-9
Wiley ID 1876895