SpectraBase Spectrum ID |
K1s8rwWVqHA |
Name |
(-)-(1R,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane |
Appearance |
Yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H32N2O2 |
InChI |
InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m0/s1 |
InChIKey |
IMNBWSFURFCFMF-CAOCKLPOSA-N |
Instrument Name |
Thermo-Finnigan MAT GCQ |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/jm801522j |
Molecular Weight |
392.543 g/mol |
Optical Rotation |
[a]D20 = -30.2 (c = 0.35, CH2Cl2) |
SMILES |
c1cccc(CO[C@]2(CC[C@@]3(N(C[C@]2(N(C3)Cc2ccc(cc2)OC)[H])CC=C)[H])[H])c1 |
SPLASH |
splash10-006x-2819000000-d5b2d7b0d79ca08e09ca |
Source of Spectrum |
AF-52-SM12-11a |
Thin-Layer Chromatography |
Rf = 0.06 (CH2Cl2/Methanol, 50:1) |
Wiley ID |
1873829 |