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21-O-(4-O-Acetyl-3-O-angeloyl).beta.-D-fucopyranosyl-22-O-acetyl-protoaescigenin
SpectraBase Compound ID 27i3rCECfQ9
InChI InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12-/t24-,28?,29?,30?,31+,32-,33-,34+,35-,36+,37+,39+,41+,42-,43-,44-,45+/m1/s1
InChIKey VKKSPDIQSBEGAD-OTIGKFMTSA-N
Mol Weight 819.0 g/mol
Molecular Formula C45H70O13
Exact Mass 818.481642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7f6bpNJQndY
Name 21-O-(4-O-ACETYL-3-O-ANGELOYL)-BETA-D-FUCOPYRANOSYL-22-O-ACETYL-PROTOAESCIGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H70O13
InChI InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12-/t24-,28?,29?,30?,31+,32-,33-,34+,35-,36+,37+,39+,41+,42-,43-,44-,45+/m1/s1
InChIKey VKKSPDIQSBEGAD-OTIGKFMTSA-N
Literature Reference Author Y.CHEN,T.TAKEDA,Y.OGIHARA
Literature Reference Citation CHEM.PHARM.BULL.,33,127(1985)
Literature Reference DOI 10.1248/cpb.33.127
Molecular Weight 819.043 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK189