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(3aS,4S,5R,6aR,10aS,10bR)-6-Benzyl-4-methoxy-2,2,5-trimethyl-decahydro-1,3-dioxa-6-aza-benzo[e]azulene
SpectraBase Compound ID LbzAAmlU6CY
InChI InChI=1S/C22H33NO3/c1-15-19(24-4)21-20(25-22(2,3)26-21)17-12-8-9-13-18(17)23(15)14-16-10-6-5-7-11-16/h5-7,10-11,15,17-21H,8-9,12-14H2,1-4H3/t15-,17+,18-,19+,20-,21-/m1/s1
InChIKey BKKXGIMPELMKIW-MTNDGHDBSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlqkgBXpMMb
Name (3aS,4S,5R,6aR,10aS,10bR)-6-Benzyl-4-methoxy-2,2,5-trimethyl-decahydro-1,3-dioxa-6-aza-benzo[e]azulene
Alternate Name(s) N-Benzyl-(2S,3S,4S,5R,5aR,9aS)-4,5-O-isopropylidene-2-methyl-3-methoxy-5a,9a-decahydro-1H-benzo[b]azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-15-19(24-4)21-20(25-22(2,3)26-21)17-12-8-9-13-18(17)23(15)14-16-10-6-5-7-11-16/h5-7,10-11,15,17-21H,8-9,12-14H2,1-4H3/t15-,17+,18-,19+,20-,21-/m1/s1
InChIKey BKKXGIMPELMKIW-MTNDGHDBSA-N
Molecular Weight 359.510 g/mol
SMILES [C@]12(N([C@@]([C@@]([C@]3(OC(O[C@@]3([C@]2(CCCC1)[H])[H])(C)C)[H])(OC)[H])(C)[H])Cc1ccccc1)[H]
SPLASH splash10-002f-9008000000-ae3365399a626e074e49
Source of Spectrum J-73-5297-61
Wiley ID 1668408