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Brucein B triacetate
SpectraBase Compound ID JP2VApVOthE
InChI InChI=1S/C29H34O14/c1-11-16-8-18-28-10-38-29(26(36)37-7,23(28)21(25(35)43-18)41-14(4)32)24(42-15(5)33)20(40-13(3)31)22(28)27(16,6)9-17(34)19(11)39-12(2)30/h16,18,20-24H,8-10H2,1-7H3
InChIKey PZOLXTLBGRAFOL-UHFFFAOYSA-N
Mol Weight 606.6 g/mol
Molecular Formula C29H34O14
Exact Mass 606.194856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5c1zPBup6I
Name Brucein B triacetate
CAS Registry Number 37746-38-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H34O14
InChI InChI=1S/C29H34O14/c1-11-16-8-18-28-10-38-29(26(36)37-7,23(28)21(25(35)43-18)41-14(4)32)24(42-15(5)33)20(40-13(3)31)22(28)27(16,6)9-17(34)19(11)39-12(2)30/h16,18,20-24H,8-10H2,1-7H3
InChIKey PZOLXTLBGRAFOL-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J. Polonsky, Z. Baskevitch, E. Wenkert, J. Org. Chem. 40, 2499 (1975).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6