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BROUSSONETINE-I;(2R)-2-[(1S,2S)-1,2-DIHYDROXY-8-[(2R,3R,4R,5R)-5-(2-HYDROXYMETHYL-3,4-DIHYDROXYPYRROLIDINYL)]-OCTYL]-1-ACETYLPIPERIDINE

View entire compound with spectra: 2 NMR

BROUSSONETINE-I;(2R)-2-[(1S,2S)-1,2-DIHYDROXY-8-[(2R,3R,4R,5R)-5-(2-HYDROXYMETHYL-3,4-DIHYDROXYPYRROLIDINYL)]-OCTYL]-1-ACETYLPIPERIDINE
SpectraBase Compound ID 6NUdKZaaujN
InChI InChI=1S/C20H38N2O6/c1-13(24)22-11-7-6-9-16(22)20(28)17(25)10-5-3-2-4-8-14-18(26)19(27)15(12-23)21-14/h14-21,23,25-28H,2-12H2,1H3/t14-,15-,16+,17-,18-,19-,20-/m1/s1
InChIKey JOZUWNJNFDODBK-PDEMJFSWSA-N
Mol Weight 402.5 g/mol
Molecular Formula C20H38N2O6
Exact Mass 402.272987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALjAahUJoeK
Name BROUSSONETINE-I;(2R)-2-[(1S,2S)-1,2-DIHYDROXY-8-[(2R,3R,4R,5R)-5-(2-HYDROXYMETHYL-3,4-DIHYDROXYPYRROLIDINYL)]-OCTYL]-1-ACETYLPIPERIDINE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H38N2O6
InChI InChI=1S/C20H38N2O6/c1-13(24)22-11-7-6-9-16(22)20(28)17(25)10-5-3-2-4-8-14-18(26)19(27)15(12-23)21-14/h14-21,23,25-28H,2-12H2,1H3/t14-,15-,16+,17-,18-,19-,20-/m1/s1
InChIKey JOZUWNJNFDODBK-PDEMJFSWSA-N
Literature Reference Author M.SHIBANO,S.NAKAMURA,M.KUBORI,K.MINOURA,G.KUSANO
Literature Reference Citation CHEM.PHARM.BULL.,46,1416(1998)
Literature Reference DOI 10.1248/cpb.46.1416
Molecular Weight 402.532 g/mol
Solvent C5D5N
Source File Reference UWMS20570