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1H-Indole-3-ethanol, 2-[5-ethyl-4-(2-hydroxyethyl)-1-methyl-2-piperidinyl]-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID EwEOTPnTapn
InChI InChI=1S/C20H30N2O2/c1-3-14-13-22(2)19(12-15(14)8-10-23)20-17(9-11-24)16-6-4-5-7-18(16)21-20/h4-7,14-15,19,21,23-24H,3,8-13H2,1-2H3/t14-,15+,19+/m1/s1
InChIKey HZMFGUSSYMUJTR-VCBZYWHSSA-N
Mol Weight 330.47 g/mol
Molecular Formula C20H30N2O2
Exact Mass 330.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FLuNpbCNIf
Name 1H-Indole-3-ethanol, 2-[5-ethyl-4-(2-hydroxyethyl)-1-methyl-2-piperidinyl]-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 132339-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O2
InChI InChI=1S/C20H30N2O2/c1-3-14-13-22(2)19(12-15(14)8-10-23)20-17(9-11-24)16-6-4-5-7-18(16)21-20/h4-7,14-15,19,21,23-24H,3,8-13H2,1-2H3/t14-,15+,19+/m1/s1
InChIKey HZMFGUSSYMUJTR-VCBZYWHSSA-N
Molecular Weight 330.472 g/mol
SMILES [nH]1c2ccccc2c(c1[C@@]1(C[C@](CCO)([C@@](CN1C)(CC)[H])[H])[H])CCO
SPLASH splash10-0006-9711000000-1481f0f0c1cc2376770f
Source of Spectrum F-46-4402-15
Synonyms (.+-.)-20-epi-Guettardine 2-{(2S,4R,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methylpiperidinyl}ethanol 5-Ethyl-4-(2-hydroxyethyl)-2-[3-(2-hydroxyethyl)-2-indolyl)-1-methylpiperidine
Wiley ID 1328117