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1-BETA,6-ALPHA,9-ALPHA,15-TETRAACETOXY-2-BETA-BENZOYLOXY-8-OXO-DIHYDRO-BETA-AGAROFURAN
SpectraBase Compound ID FR4Lfygqn5Q
InChI InChI=1S/C30H36O12/c1-15-13-21(41-27(36)20-11-9-8-10-12-20)24(38-17(3)32)29(14-37-16(2)31)26(40-19(5)34)23(35)22-25(39-18(4)33)30(15,29)42-28(22,6)7/h8-12,15,21-22,24-26H,13-14H2,1-7H3/t15-,21+,22-,24+,25-,26-,29+,30-/m1/s1
InChIKey IZZPGRGDLAEZEH-BXPKBUKRSA-N
Mol Weight 588.6 g/mol
Molecular Formula C30H36O12
Exact Mass 588.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjJMiNVWa8Y
Name 1-BETA,6-ALPHA,9-ALPHA,15-TETRAACETOXY-2-BETA-BENZOYLOXY-8-OXO-DIHYDRO-BETA-AGAROFURAN
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O12
InChI InChI=1S/C30H36O12/c1-15-13-21(41-27(36)20-11-9-8-10-12-20)24(38-17(3)32)29(14-37-16(2)31)26(40-19(5)34)23(35)22-25(39-18(4)33)30(15,29)42-28(22,6)7/h8-12,15,21-22,24-26H,13-14H2,1-7H3/t15-,21+,22-,24+,25-,26-,29+,30-/m1/s1
InChIKey IZZPGRGDLAEZEH-BXPKBUKRSA-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 588.609 g/mol
Solvent CDCl3
Source File Reference UWPR218