For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Samandarine
SpectraBase Compound ID 98WQMTgJ34
InChI InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKey HJCSQOSWSRPBOU-XTXNWKRWSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4qs5frzvRA
Name Samandarine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKey HJCSQOSWSRPBOU-XTXNWKRWSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.9b00065
Molecular Weight 305.462 g/mol
Optical Rotation [a]D20 =+36 (c = 0.4, MeOH)
Reported Formula C19H31NO2
SMILES N1[C@@]2(C[C@@]3([C@@]([C@]4(CC[C@@]5(C[C@](C[C@]5([C@@]4(CC3)[H])[H])(O)[H])C)[H])([C@@](O2)(C1)[H])C)[H])[H]
SPLASH splash10-052r-9310000000-aff95b74b4119e177572
Source of Spectrum G4-82-SM6-1
Wiley ID 1867682