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Samanine
SpectraBase Compound ID Lk8pSwhS4hs
InChI InChI=1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey SWERVVWWNZOXPV-TVRUUFEMSA-N
Mol Weight 291.5 g/mol
Molecular Formula C19H33NO
Exact Mass 291.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLApuco7U6z
Name Samanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO
InChI InChI=1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey SWERVVWWNZOXPV-TVRUUFEMSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.9b00065
Molecular Weight 291.479 g/mol
SMILES N1CC[C@@]2([C@@]([C@]3(CC[C@@]4(C[C@](C[C@]4([C@@]3(CC2)[H])[H])(O)[H])C)[H])(CC1)C)[H]
SPLASH splash10-054o-9240000000-728f888cc929e8fff361
Source of Spectrum G4-82-1322-5
Wiley ID 1867680