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(1S,4S,5S,6S,8S,11R)-3-(Benzyloxycarbonyl)-6-isopropyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-ol
SpectraBase Compound ID BjZCunu8hFR
InChI InChI=1S/C22H31NO3/c1-14(2)18-11-16-9-10-17-12-23(20(19(18)24)22(16,17)3)21(25)26-13-15-7-5-4-6-8-15/h4-8,14,16-20,24H,9-13H2,1-3H3/t16-,17+,18-,19-,20+,22+/m0/s1
InChIKey DXQILXPEWUDTQJ-SQNFNTIFSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlhDS65p3CK
Name (1S,4S,5S,6S,8S,11R)-3-(Benzyloxycarbonyl)-6-isopropyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-14(2)18-11-16-9-10-17-12-23(20(19(18)24)22(16,17)3)21(25)26-13-15-7-5-4-6-8-15/h4-8,14,16-20,24H,9-13H2,1-3H3/t16-,17+,18-,19-,20+,22+/m0/s1
InChIKey DXQILXPEWUDTQJ-SQNFNTIFSA-N
Molecular Weight 357.494 g/mol
SMILES O[C@@]1([C@]2(N(C(OCc3ccccc3)=O)C[C@]3(CC[C@@]([C@@]23C)([H])C[C@]1(C(C)C)[H])[H])[H])[H]
SPLASH splash10-006x-8090000000-03230a4715e8e1243b5f
Source of Spectrum J-59-5641-0
Synonyms benzyl (2aS,4aS,6S,7S,7aS,7bR)-7-hydroxy-6-isopropyl-7b-methyldecahydro-1H-cyclopenta[cd]indole-1-carboxylate
Wiley ID 1346595