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(1R,2S,3S,4S,5R,7R,9S,10R)-2-Acetoxy-1-benzoyloxy-9-trans-cinnamoyloxy-3,4-dihydroxydihydro-.beta.-agarofuran
SpectraBase Compound ID 10ScQIYnzMz
InChI InChI=1S/C33H38O9/c1-20(34)39-26-27(36)32(5,38)33-19-23(30(2,3)42-33)18-24(40-25(35)17-16-21-12-8-6-9-13-21)31(33,4)28(26)41-29(37)22-14-10-7-11-15-22/h6-17,23-24,26-28,36,38H,18-19H2,1-5H3/b17-16+/t23-,24+,26-,27+,28+,31-,32+,33-/m1/s1
InChIKey VGUVQKDLHHRXNF-SQFMQKTMSA-N
Mol Weight 578.7 g/mol
Molecular Formula C33H38O9
Exact Mass 578.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEKxzYbeKAo
Name (1-R,2-S,3-S,4-S,5-R,7-R,9-S,10-R)-2-ACETOXY-1-BENZOYLOXY-9-TRANS-CINNAMOYLOXY-3,4-DIHYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38O9
InChI InChI=1S/C33H38O9/c1-20(34)39-26-27(36)32(5,38)33-19-23(30(2,3)42-33)18-24(40-25(35)17-16-21-12-8-6-9-13-21)31(33,4)28(26)41-29(37)22-14-10-7-11-15-22/h6-17,23-24,26-28,36,38H,18-19H2,1-5H3/b17-16+/t23-,24+,26-,27+,28+,31-,32+,33-/m1/s1
InChIKey VGUVQKDLHHRXNF-SQFMQKTMSA-N
Literature Reference Author N.R.PERESTELO,I.A.JIMENEZ,H.TOKUDA,H.HAYASHI,I.L.BAZZOCCHI
Literature Reference Citation J.NAT.PROD.,73,127(2010)
Literature Reference DOI 10.1021/np900476a
Molecular Weight 578.659 g/mol
Sample ID 34394
Solvent CDCl3