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METHYL-3-O-BETA-D-GLUCOPYRANOSYL-PROTOBASSIC-ACID-28-OATE
SpectraBase Compound ID JvjAQRMh6zd
InChI InChI=1S/C37H60O11/c1-32(2)10-12-37(31(45)46-7)13-11-35(5)19(20(37)14-32)8-9-24-33(3)15-22(41)29(34(4,18-39)28(33)21(40)16-36(24,35)6)48-30-27(44)26(43)25(42)23(17-38)47-30/h8,20-30,38-44H,9-18H2,1-7H3/t20?,21-,22+,23-,24?,25-,26+,27-,28?,29+,30+,33-,34+,35-,36-,37+/m1/s1
InChIKey XLFXXZIENJEIJF-GMKNYKTRSA-N
Mol Weight 680.9 g/mol
Molecular Formula C37H60O11
Exact Mass 680.413563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiPcUTox6XF
Name METHYL-3-O-BETA-D-GLUCOPYRANOSYL-PROTOBASSIC-ACID-28-OATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H60O11
InChI InChI=1S/C37H60O11/c1-32(2)10-12-37(31(45)46-7)13-11-35(5)19(20(37)14-32)8-9-24-33(3)15-22(41)29(34(4,18-39)28(33)21(40)16-36(24,35)6)48-30-27(44)26(43)25(42)23(17-38)47-30/h8,20-30,38-44H,9-18H2,1-7H3/t20?,21-,22+,23-,24?,25-,26+,27-,28?,29+,30+,33-,34+,35-,36-,37+/m1/s1
InChIKey XLFXXZIENJEIJF-GMKNYKTRSA-N
Literature Reference Author N.P.SAHU
Literature Reference Citation PHYTOCHEM.,41,883(1996)
Literature Reference DOI 10.1016/0031-9422(95)00690-7
Molecular Weight 680.877 g/mol
Solvent C5D5N
Source File Reference UWLU4110