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(3-S,6-R)-3,6-DIHYDROXY-3,6-DI-O-PARA-BROMOBENZOYL-ISOAMBREINOLIDE
SpectraBase Compound ID 1jC8C2hiPBl
InChI InChI=1S/C31H34Br2O6/c1-18-17-23(37-27(35)19-5-9-21(32)10-6-19)26-29(2,3)24(38-28(36)20-7-11-22(33)12-8-20)13-15-30(26,4)31(18)16-14-25(34)39-31/h5-12,18,23-24,26H,13-17H2,1-4H3/t18-,23-,24+,26+,30+,31+/m1/s1
InChIKey IWGOYARYHDHGLR-UQZSWNMBSA-N
Mol Weight 662.4 g/mol
Molecular Formula C31H34Br2O6
Exact Mass 660.072215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18TLmjuj0la
Name (3-S,6-R)-3,6-DIHYDROXY-3,6-DI-O-PARA-BROMOBENZOYL-ISOAMBREINOLIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34Br2O6
InChI InChI=1S/C31H34Br2O6/c1-18-17-23(37-27(35)19-5-9-21(32)10-6-19)26-29(2,3)24(38-28(36)20-7-11-22(33)12-8-20)13-15-30(26,4)31(18)16-14-25(34)39-31/h5-12,18,23-24,26H,13-17H2,1-4H3/t18-,23-,24+,26+,30+,31+/m1/s1
InChIKey IWGOYARYHDHGLR-UQZSWNMBSA-N
Literature Reference Author Y.MIYAICHI,A.SEGAWA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,54,1370(2006)
Literature Reference DOI 10.1248/cpb.54.1370
Molecular Weight 662.415 g/mol
Sample ID 37316
Solvent CDCl3