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1-BETA,6-ALPHA,15-TRIACETOXY-2-BETA,9-ALPHA-DIBENZOYLOXY-DIHYDRO-BETA-AGAROFURAN
SpectraBase Compound ID Gx3J8jHwLPT
InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
InChIKey NDGSLRUFUIEVLM-HDWLWNEUSA-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 9RovgBCq7Df
Name 1-BETA,6-ALPHA,15-TRIACETOXY-2-BETA,9-ALPHA-DIBENZOYLOXY-DIHYDRO-BETA-AGAROFURAN
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40O11
InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
InChIKey NDGSLRUFUIEVLM-HDWLWNEUSA-N
Literature Reference Author J.HOHMANN,G.NAGY,Z.DINI,G.GUENTHER,I.PELCZER,G.JERKOVICH
Literature Reference Citation J.NAT.PROD.,58,1192(1995)
Literature Reference DOI 10.1021/np50122a006
Molecular Weight 636.696 g/mol
Solvent CDCl3
Source File Reference UWPR216