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Brucein C triacetate
SpectraBase Compound ID 5CY2MXFoTX3
InChI InChI=1S/C34H42O15/c1-14(31(6,7)42)10-22(39)49-25-27-33-13-44-34(27,30(41)43-9)28(47-18(5)37)24(46-17(4)36)26(33)32(8)12-20(38)23(45-16(3)35)15(2)19(32)11-21(33)48-29(25)40/h10,19,21,24-28,42H,11-13H2,1-9H3/b14-10+
InChIKey REWZZAPVSLCTQZ-GXDHUFHOSA-N
Mol Weight 690.7 g/mol
Molecular Formula C34H42O15
Exact Mass 690.252371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UaYpjqeyWY
Name Brucein C triacetate
CAS Registry Number 55606-57-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H42O15
InChI InChI=1S/C34H42O15/c1-14(31(6,7)42)10-22(39)49-25-27-33-13-44-34(27,30(41)43-9)28(47-18(5)37)24(46-17(4)36)26(33)32(8)12-20(38)23(45-16(3)35)15(2)19(32)11-21(33)48-29(25)40/h10,19,21,24-28,42H,11-13H2,1-9H3/b14-10+
InChIKey REWZZAPVSLCTQZ-GXDHUFHOSA-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