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BARBALINE;(1S,1-BETA,2-ALPHA,3-ALPHA,4-ALPHA,7-BETA,11-ALPHA)-1,3,11-TRIACETYLOXY-2-BENZOYLOXY-7-HYDROXY-21-METHYL-13-OXO-19,21-SECOHETISAN-18-AL

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BARBALINE;(1S,1-BETA,2-ALPHA,3-ALPHA,4-ALPHA,7-BETA,11-ALPHA)-1,3,11-TRIACETYLOXY-2-BENZOYLOXY-7-HYDROXY-21-METHYL-13-OXO-19,21-SECOHETISAN-18-AL
SpectraBase Compound ID JrBWQJ6DTzL
InChI InChI=1S/C34H37NO11/c1-14-12-33-20-22(40)19(14)23(43-15(2)37)26(33)34-25(21(28(33)41)35(6)27(20)34)32(5,13-36)29(44-16(3)38)24(30(34)45-17(4)39)46-31(42)18-10-8-7-9-11-18/h7-11,13,19-21,23-30,41H,1,12H2,2-6H3/t19-,20?,21+,23+,24-,25?,26?,27?,28-,29+,30+,32-,33-,34+/m0/s1
InChIKey KCCYFKIQPUNVNA-BHVNOFJYSA-N
Mol Weight 635.7 g/mol
Molecular Formula C34H37NO11
Exact Mass 635.236661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ru9IyzL2Ev
Name BARBALINE;(1S,1-BETA,2-ALPHA,3-ALPHA,4-ALPHA,7-BETA,11-ALPHA)-1,3,11-TRIACETYLOXY-2-BENZOYLOXY-7-HYDROXY-21-METHYL-13-OXO-19,21-SECOHETISAN-18-AL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H37NO11
InChI InChI=1S/C34H37NO11/c1-14-12-33-20-22(40)19(14)23(43-15(2)37)26(33)34-25(21(28(33)41)35(6)27(20)34)32(5,13-36)29(44-16(3)38)24(30(34)45-17(4)39)46-31(42)18-10-8-7-9-11-18/h7-11,13,19-21,23-30,41H,1,12H2,2-6H3/t19-,20?,21+,23+,24-,25?,26?,27?,28-,29+,30+,32-,33-,34+/m0/s1
InChIKey KCCYFKIQPUNVNA-BHVNOFJYSA-N
Literature Reference Author G.D.MANNERS,R.Y.WONG,M.BENSON,M.H.RALPHS,J.A.PFISTER
Literature Reference Citation PHYTOCHEM.,42,875(1996)
Literature Reference DOI 10.1016/0031-9422(95)00009-7
Molecular Weight 635.668 g/mol
Solvent CDCl3
Source File Reference UWLU3642