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#6;HELIOSUPINE;(Z)-[(1S,7AR)-7-[[(R)-2,3-DIHYDROXY-2-[(R)-1-HYDROXYETHYL)-3-METHYLBUTANOYLOXY]-METHYL]-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-1-YL]-2-METHYL-BUT-2-E

View entire compound with spectra: 2 NMR

#6;HELIOSUPINE;(Z)-[(1S,7AR)-7-[[(R)-2,3-DIHYDROXY-2-[(R)-1-HYDROXYETHYL)-3-METHYLBUTANOYLOXY]-METHYL]-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-1-YL]-2-METHYL-BUT-2-E
SpectraBase Compound ID F2fa79a5rGb
InChI InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20-/m0/s1
InChIKey HRSGCYGUWHGOPY-FNBSJSJDSA-N
Mol Weight 397.47 g/mol
Molecular Formula C20H31NO7
Exact Mass 397.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ihZQ96GoRP
Name #6;HELIOSUPINE;(Z)-[(1S,7AR)-7-[[(R)-2,3-DIHYDROXY-2-[(R)-1-HYDROXYETHYL)-3-METHYLBUTANOYLOXY]-METHYL]-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-1-YL]-2-METHYL-BUT-2-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO7
InChI InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20-/m0/s1
InChIKey HRSGCYGUWHGOPY-FNBSJSJDSA-N
Literature Reference Author B.M.MANDIC,M.R.SIMIC,I.M.VUCKOVIC,L.V.VUJISIC,M.M.NOVAKOVIC, S.S.TRIFUNOVIC
Literature Reference Citation MOLECULES,18,10694(2013)
Literature Reference DOI 10.3390/molecules180910694
Molecular Weight 397.469 g/mol
Solvent CDCl3
Source File Reference UWIR9347