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BUDDLENOL_A
SpectraBase Compound ID CjUIixzAmUN
InChI InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27?,28?,29+/m1/s1
InChIKey UYNCCRHOWNHDMT-WWZDYYMFSA-N
Mol Weight 582.6 g/mol
Molecular Formula C31H34O11
Exact Mass 582.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWQs3Dx7Xue
Name BUDDLENOL_A
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O11
InChI InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27?,28?,29+/m1/s1
InChIKey UYNCCRHOWNHDMT-WWZDYYMFSA-N
Literature Reference Author X.W.YANG,P.J.ZHAO,Y.L.MA,H.T.XIAO,Y.Q.ZUO,H.P.HE,L.LI,X.J.HA O
Literature Reference Citation J.NAT.PROD.,70,521(2007)
Literature Reference DOI 10.1021/np0603931
Molecular Weight 582.604 g/mol
Sample ID 30076
Solvent CD3OD