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(+)-(12-E,2-S,3-S,4-R,5-R,6-R,9-S,11-S,15-R)-3-CINNAMOYLOXY-5,6-EPOXYLATHYR-12-EN-15-OL-14-ONE
SpectraBase Compound ID 3kN9Ri7nkBz
InChI InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1
InChIKey QWCWFWSASCMKEX-XMILKHFNSA-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 CuYL8E8KZFP
Name (+)-(12-E,2-S,3-S,4-R,5-R,6-R,9-S,11-S,15-R)-3-CINNAMOYLOXY-5,6-EPOXYLATHYR-12-EN-15-OL-14-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1
InChIKey QWCWFWSASCMKEX-XMILKHFNSA-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 38280
Solvent ACETONE-D6