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(4aS,9bR)-2,8-dimethyl-5-stearoyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID 3yzvqjNGNTr
InChI InChI=1S/C31H52N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(34)33-29-21-20-26(2)24-27(29)28-25-32(3)23-22-30(28)33/h20-21,24,28,30H,4-19,22-23,25H2,1-3H3/t28-,30-/m0/s1
InChIKey KBBQHANUBBKBAS-JDXGNMNLSA-N
Mol Weight 468.8 g/mol
Molecular Formula C31H52N2O
Exact Mass 468.407964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap9SA99nwGj
Name (4aS,9bR)-2,8-dimethyl-5-stearoyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52N2O
InChI InChI=1S/C31H52N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(34)33-29-21-20-26(2)24-27(29)28-25-32(3)23-22-30(28)33/h20-21,24,28,30H,4-19,22-23,25H2,1-3H3/t28-,30-/m0/s1
InChIKey KBBQHANUBBKBAS-JDXGNMNLSA-N
Molecular Weight 468.770 g/mol
SMILES CCCCCCCCCCCCCCCCCC(N1[C@@]2([C@](CN(CC2)C)([H])c2c1ccc(C)c2)[H])=O
SPLASH splash10-0a4i-9100000000-d9c3bf206ae2a99b0148
Synonyms 1-(2,8-Dimethyl-1,2,3,4,4a,9b-hexahydro-pyrido[4,3-b]indol-5-yl)-octadecan-1-one
Wiley ID 1454102