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(1S)-1-[(4R,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]-2-phenylselanyl-pentadecan-1-ol

View entire compound with spectra: 1 MS (GC)

(1S)-1-[(4R,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]-2-phenylselanyl-pentadecan-1-ol
SpectraBase Compound ID LTMCtbJmT7N
InChI InChI=1S/C33H56N2O4Se/c1-5-6-7-8-9-10-11-12-13-14-18-23-30(40-28-21-16-15-17-22-28)31(36)32-29(26-38-33(2,3)39-32)34-35-24-19-20-27(35)25-37-4/h15-17,21-22,27,30-32,36H,5-14,18-20,23-26H2,1-4H3/b34-29+/t27-,30?,31+,32+/m0/s1
InChIKey MZHLXVLCHUNQAV-CWEPNUOJSA-N
Mol Weight 623.8 g/mol
Molecular Formula C33H56N2O4Se
Exact Mass 624.34053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFCwGlUGvg6
Name (1S)-1-[(4R,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]-2-phenylselanyl-pentadecan-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56N2O4Se
InChI InChI=1S/C33H56N2O4Se/c1-5-6-7-8-9-10-11-12-13-14-18-23-30(40-28-21-16-15-17-22-28)31(36)32-29(26-38-33(2,3)39-32)34-35-24-19-20-27(35)25-37-4/h15-17,21-22,27,30-32,36H,5-14,18-20,23-26H2,1-4H3/b34-29+/t27-,30?,31+,32+/m0/s1
InChIKey MZHLXVLCHUNQAV-CWEPNUOJSA-N
Molecular Weight 623.793 g/mol
SMILES O[C@@]([C@]1(\C(=N\N2[C@](COC)(CCC2)[H])COC(C)(C)O1)[H])(C([Se]c1ccccc1)CCCCCCCCCCCCC)[H]
SPLASH splash10-0aor-0000900000-8c972c12e0f9eb93d46f
Source of Spectrum QE-1-384-4
Synonyms (1S)-1-[(4R,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidino]imino-2,2-dimethyl-1,3-dioxan-4-yl]-2-(phenylseleno)pentadecan-1-ol (1S)-1-[(4R,5E)-5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]imino]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(phenylseleno)-1-pentadecanol
Wiley ID 842426