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2b-(2-Deoxy-2-isobutanoylamido-B-D-glucopyranosyloxy)-13,15a-dihydroxy-kaur-16-ene-18,19-dioic acid, dimethyl ester
SpectraBase Compound ID CAXvVbhElLu
InChI InChI=1S/C33H51NO12/c1-16(2)11-22(36)34-23-25(38)24(37)19(14-35)46-27(23)45-18-12-30(4)20-8-10-32(42)15-31(20,26(39)17(32)3)9-7-21(30)33(13-18,28(40)43-5)29(41)44-6/h16,18-21,23-27,35,37-39,42H,3,7-15H2,1-2,4-6H3,(H,34,36)/t18?,19-,20?,21?,23-,24-,25-,26?,27-,30?,31?,32?/m1/s1
InChIKey OBFJWYAGKNYPOK-TVQJTZNLSA-N
Mol Weight 653.8 g/mol
Molecular Formula C33H51NO12
Exact Mass 653.341126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZUlNaiAQWI
Name 2b-(2-Deoxy-2-isobutanoylamido-B-D-glucopyranosyloxy)-13,15a-dihydroxy-kaur-16-ene-18,19-dioic acid, dimethyl ester
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C33H51NO12
InChI InChI=1S/C33H51NO12/c1-16(2)11-22(36)34-23-25(38)24(37)19(14-35)46-27(23)45-18-12-30(4)20-8-10-32(42)15-31(20,26(39)17(32)3)9-7-21(30)33(13-18,28(40)43-5)29(41)44-6/h16,18-21,23-27,35,37-39,42H,3,7-15H2,1-2,4-6H3,(H,34,36)/t18?,19-,20?,21?,23-,24-,25-,26?,27-,30?,31?,32?/m1/s1
InChIKey OBFJWYAGKNYPOK-TVQJTZNLSA-N
Instrument Name Jeol FX-60
Literature Reference I.A. Lewis, J.K. Macleod, Org. Magn. Resonance 18, 138 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5