John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1OJzORJvngW SpectraBase Spectrum ID=3lZU2ZQwzde

(accessed ).
METHYL_KALAATE;METHYL_3-BETA-O-ALPHA-L-RHAMNOPYRANOSYL_19-ALPHA-HYDROXY-URS-12-EN-28-OATE
SpectraBase Compound ID 1OJzORJvngW
InChI InChI=1S/C37H60O8/c1-20-12-17-37(31(41)43-9)19-18-34(6)22(29(37)36(20,8)42)10-11-24-33(5)15-14-25(32(3,4)23(33)13-16-35(24,34)7)45-30-28(40)27(39)26(38)21(2)44-30/h10,20-21,23-30,38-40,42H,11-19H2,1-9H3/t20-,21-,23?,24?,25-,26-,27+,28+,29?,30-,33-,34+,35+,36+,37-/m0/s1
InChIKey AGSLVLKVBVWCQR-DRZPPQCESA-N
Mol Weight 632.9 g/mol
Molecular Formula C37H60O8
Exact Mass 632.428819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lZU2ZQwzde
Name METHYL_KALAATE;METHYL_3-BETA-O-ALPHA-L-RHAMNOPYRANOSYL_19-ALPHA-HYDROXY-URS-12-EN-28-OATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H60O8
InChI InChI=1S/C37H60O8/c1-20-12-17-37(31(41)43-9)19-18-34(6)22(29(37)36(20,8)42)10-11-24-33(5)15-14-25(32(3,4)23(33)13-16-35(24,34)7)45-30-28(40)27(39)26(38)21(2)44-30/h10,20-21,23-30,38-40,42H,11-19H2,1-9H3/t20-,21-,23?,24?,25-,26-,27+,28+,29?,30-,33-,34+,35+,36+,37-/m0/s1
InChIKey AGSLVLKVBVWCQR-DRZPPQCESA-N
Literature Reference Author D.LONTSI,B.L.SONDENGAM,B.BODO,M.T.MARTIN
Literature Reference Citation PLANTA.MED.,64,189(1998)
Literature Reference DOI 10.1055/s-2006-957404
Molecular Weight 632.879 g/mol
Solvent Unknown
Source File Reference UIAP1116
SpectraBase Batch ID AmHux7CzVQA