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(+)-(12-E,2-S,3-S,4-R,5-R,9-S,11-S,15-R)-15-CINNAMOYLOXY-LATHYRA-6-(17),12-DIENE-3,5-DIOL-14-ONE
SpectraBase Compound ID IEGIdCecUUd
InChI InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1
InChIKey SXGKGXOUXRBQMQ-KIBXAYQRSA-N
Mol Weight 464.6 g/mol
Molecular Formula C29H36O5
Exact Mass 464.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ldn1iYhHx8z
Name (+)-(12-E,2-S,3-S,4-R,5-R,9-S,11-S,15-R)-15-CINNAMOYLOXY-LATHYRA-6-(17),12-DIENE-3,5-DIOL-14-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1
InChIKey SXGKGXOUXRBQMQ-KIBXAYQRSA-N
Literature Reference Author Y.TIAN,W.XU,C.ZHU,S.LIN,Y.LI,L.XIONG,S.WANG,L.WANG,Y.YANG,Y. GUO,H.SUN,X.WANG,J.S
Literature Reference Citation J.NAT.PROD.,74,1221(2011)
Literature Reference DOI 10.1021/np2001489
Molecular Weight 464.602 g/mol
Sample ID 38284
Solvent ACETONE-D6