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5-ALPHA-CINNAMYLOXY-7-BETA,10-BETA,13-ALPHA-TRIACETOXY-2(3-20)-ABEOTAXA-A-ALPHA-HYDROXY-4(20),11-DIEN-9-ONE
SpectraBase Compound ID C7w9TJOltIy
InChI InChI=1S/C35H42O10/c1-19-27(42-20(2)36)16-25-26(39)15-24-18-35(7,33(41)32(44-22(4)38)31(19)34(25,5)6)29(43-21(3)37)17-28(24)45-30(40)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,39H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
InChIKey RCVDERYCNOTRPF-CRMVJMMESA-N
Mol Weight 622.7 g/mol
Molecular Formula C35H42O10
Exact Mass 622.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1XRxzlOuNy
Name 5-ALPHA-CINNAMYLOXY-7-BETA,10-BETA,13-ALPHA-TRIACETOXY-2(3-20)-ABEOTAXA-A-ALPHA-HYDROXY-4(20),11-DIEN-9-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O10
InChI InChI=1S/C35H42O10/c1-19-27(42-20(2)36)16-25-26(39)15-24-18-35(7,33(41)32(44-22(4)38)31(19)34(25,5)6)29(43-21(3)37)17-28(24)45-30(40)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,39H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
InChIKey RCVDERYCNOTRPF-CRMVJMMESA-N
Literature Reference Author Q.W.SHI,T.ORITANI,T.SUGIYAMA,R.MURAKAMI,H.Q.WEI
Literature Reference Citation J.NAT.PROD.,62,1114(1999)
Literature Reference DOI 10.1021/np990106b
Molecular Weight 622.712 g/mol
Solvent CDCl3
Source File Reference UWCP8687