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21-O-(4-O-Acetyl-3-O-angeloyl).beta.-D-fucopyranosyl-22-O-acetyl-protoaescigenin
SpectraBase Compound ID D5iJlyIj5EM
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-GGRIYRLNSA-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 CCqiPJwjKkb
Name 21-O-(4-O-Acetyl-3-O-angeloyl).beta.-D-fucopyranosyl-22-O-acetyl-protoaescigenin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-GGRIYRLNSA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 33, 1387 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5