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1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, acetate (ester), (6.alpha.,7.beta.,8.alpha.)-(.+-.)-
SpectraBase Compound ID 7locbxRRZO6
InChI InChI=1S/C23H35NO2/c1-3-4-13-21-22(26-19(2)25)14-10-16-23(21)15-8-9-17-24(23)18-20-11-6-5-7-12-20/h5-7,11-12,21-22H,3-4,8-10,13-18H2,1-2H3/t21-,22+,23+/m0/s1
InChIKey JMUXIYMFNRTTPE-YTFSRNRJSA-N
Mol Weight 357.5 g/mol
Molecular Formula C23H35NO2
Exact Mass 357.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFWcexiugZe
Name 1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, acetate (ester), (6.alpha.,7.beta.,8.alpha.)-(.+-.)-
Alternate Name(s) (6R,7R,8R)-1-benzyl-7-butyl-1-azaspiro[5.5]undec-8-yl acetate O-acetyl-N-benzyldepentylperhydrohistrionicotoxin (isomer a)
CAS Registry Number 86817-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35NO2
InChI InChI=1S/C23H35NO2/c1-3-4-13-21-22(26-19(2)25)14-10-16-23(21)15-8-9-17-24(23)18-20-11-6-5-7-12-20/h5-7,11-12,21-22H,3-4,8-10,13-18H2,1-2H3/t21-,22+,23+/m0/s1
InChIKey JMUXIYMFNRTTPE-YTFSRNRJSA-N
Molecular Weight 357.538 g/mol
SMILES [C@@]12(N(CCCC2)Cc2ccccc2)[C@]([C@](OC(=O)C)(CCC1)[H])(CCCC)[H]
SPLASH splash10-000b-0390000000-eee7f5765a87f38c7635
Source of Spectrum KC-1983-1424-0
Wiley ID 1346615