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(2R,3S,6S)-1-Benzoyl-3-benzyloxy-2-[(3R)-3-hydroxypentyl]-6-propylpiperidine
SpectraBase Compound ID J1CB4PdbQEE
InChI InChI=1S/C27H37NO3/c1-3-11-23-16-19-26(31-20-21-12-7-5-8-13-21)25(18-17-24(29)4-2)28(23)27(30)22-14-9-6-10-15-22/h5-10,12-15,23-26,29H,3-4,11,16-20H2,1-2H3/t23-,24+,25+,26-/m0/s1
InChIKey SPVRJNMSKGTUEA-QUMGSSFMSA-N
Mol Weight 423.6 g/mol
Molecular Formula C27H37NO3
Exact Mass 423.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nnEoh5lslu
Name (2R,3S,6S)-1-Benzoyl-3-benzyloxy-2-[(3R)-3-hydroxypentyl]-6-propylpiperidine
Alternate Name(s) (3R)-1-[(2R,3S,6S)-1-benzoyl-3-(benzyloxy)-6-propylpiperidinyl]-3-pentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO3
InChI InChI=1S/C27H37NO3/c1-3-11-23-16-19-26(31-20-21-12-7-5-8-13-21)25(18-17-24(29)4-2)28(23)27(30)22-14-9-6-10-15-22/h5-10,12-15,23-26,29H,3-4,11,16-20H2,1-2H3/t23-,24+,25+,26-/m0/s1
InChIKey SPVRJNMSKGTUEA-QUMGSSFMSA-N
Molecular Weight 423.597 g/mol
SMILES O[C@@](CC[C@]1(N(C(=O)c2ccccc2)[C@](CC[C@@]1(OCc1ccccc1)[H])(CCC)[H])[H])(CC)[H]
SPLASH splash10-0a4l-6912000000-b54a081a29838704dfa9
Source of Spectrum KC-0-1121-29
Wiley ID 785674