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(1S,2S,4AS,8AS)-N-METHOXY-N-METHYL-1-(2-HYDROXY-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALENYL)-ACETAMIDE
SpectraBase Compound ID LIjh0lsxRHG
InChI InChI=1S/C18H33NO3/c1-16(2)9-7-10-17(3)13(16)8-11-18(4,21)14(17)12-15(20)19(5)22-6/h13-14,21H,7-12H2,1-6H3/t13-,14+,17-,18+/m0/s1
InChIKey UTZVSIXTYYWUOB-IHETXDGRSA-N
Mol Weight 311.5 g/mol
Molecular Formula C18H33NO3
Exact Mass 311.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1h7yikH0Cr
Name (1R,2R,4aS,8aS)-N-Methoxy-N-methyl 2-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-yl)acetamide
Appearance Amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33NO3
InChI InChI=1S/C18H33NO3/c1-16(2)9-7-10-17(3)13(16)8-11-18(4,21)14(17)12-15(20)19(5)22-6/h13-14,21H,7-12H2,1-6H3/t13-,14+,17-,18+/m0/s1
InChIKey UTZVSIXTYYWUOB-IHETXDGRSA-N
Instrument Name Hewlett-Packard HP 5989A
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np010590u
Molecular Weight 311.466 g/mol
Optical Rotation [a]D20 = +26.8 (c = 0.112, CHCl3)
SMILES O[C@]1([C@@]([C@]2(CCCC([C@@]2(CC1)[H])(C)C)C)(CC(N(OC)C)=O)[H])C
SPLASH splash10-066u-7900000000-ba3e6308fac1b5205c87
Source of Spectrum G4-65-665-11
Wiley ID 1883641