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(1-R,2-S,3-S,4-S,5-S,7-R,9-S,10-R)-2,3-DIACETOXY-1-BENZOYLOXY-9-TRANS-CINNAMOYLOXY-4,6-DIHYDROXYDIHYDRO-BETA-AGAROFURAN
SpectraBase Compound ID 4rXo48Ft2RN
InChI InChI=1S/C35H40O11/c1-20(36)42-27-29(45-31(40)23-15-11-8-12-16-23)33(5)25(44-26(38)18-17-22-13-9-7-10-14-22)19-24-28(39)35(33,46-32(24,3)4)34(6,41)30(27)43-21(2)37/h7-18,24-25,27-30,39,41H,19H2,1-6H3/b18-17+/t24-,25+,27+,28-,29+,30+,33-,34+,35-/m1/s1
InChIKey NNIHOVDDAZGURH-ZAKGOMEISA-N
Mol Weight 636.7 g/mol
Molecular Formula C35H40O11
Exact Mass 636.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ao5sotW0eN2
Name (1-R,2-S,3-S,4-S,5-S,7-R,9-S,10-R)-2,3-DIACETOXY-1-BENZOYLOXY-9-TRANS-CINNAMOYLOXY-4,6-DIHYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40O11
InChI InChI=1S/C35H40O11/c1-20(36)42-27-29(45-31(40)23-15-11-8-12-16-23)33(5)25(44-26(38)18-17-22-13-9-7-10-14-22)19-24-28(39)35(33,46-32(24,3)4)34(6,41)30(27)43-21(2)37/h7-18,24-25,27-30,39,41H,19H2,1-6H3/b18-17+/t24-,25+,27+,28-,29+,30+,33-,34+,35-/m1/s1
InChIKey NNIHOVDDAZGURH-ZAKGOMEISA-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 636.696 g/mol
Sample ID 34397
Solvent CDCl3