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(1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,2-Diacetoxy-9-benzoyloxy-15-(2-methylbutyroyloxy)-4,6,8-trihydroxydihydro-.beta.-agarofuran

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(1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,2-Diacetoxy-9-benzoyloxy-15-(2-methylbutyroyloxy)-4,6,8-trihydroxydihydro-.beta.-agarofuran
SpectraBase Compound ID J9KkQeCph5O
InChI InChI=1S/C31H42O12/c1-8-16(2)26(36)39-15-30-24(41-18(4)33)20(40-17(3)32)14-29(7,38)31(30)23(35)21(28(5,6)43-31)22(34)25(30)42-27(37)19-12-10-9-11-13-19/h9-13,16,20-25,34-35,38H,8,14-15H2,1-7H3/t16?,20-,21+,22-,23+,24-,25+,29-,30-,31-/m0/s1
InChIKey VQXHGGVQKDNJCJ-HEPCYUEXSA-N
Mol Weight 606.7 g/mol
Molecular Formula C31H42O12
Exact Mass 606.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3d7MR8nccdg
Name (1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,2-DIACETOXY-9-BENZOYLOXY-15-(2-METHYLBUTYROYLOXY)-4,6,8-TRIHYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O12
InChI InChI=1S/C31H42O12/c1-8-16(2)26(36)39-15-30-24(41-18(4)33)20(40-17(3)32)14-29(7,38)31(30)23(35)21(28(5,6)43-31)22(34)25(30)42-27(37)19-12-10-9-11-13-19/h9-13,16,20-25,34-35,38H,8,14-15H2,1-7H3/t16?,20-,21+,22-,23+,24-,25+,29-,30-,31-/m0/s1
InChIKey VQXHGGVQKDNJCJ-HEPCYUEXSA-N
Literature Reference Author I.A.JIMENEZ,I.L.BAZZOCCHI,M.J.NUNEZ,T.MUKAINAKA,H.TOKUDA,H.N ISHINO,T.KONOSHIMA,A
Literature Reference Citation J.NAT.PROD.,66,1047(2003)
Literature Reference DOI 10.1021/np0301240
Molecular Weight 606.667 g/mol
Solvent CDCl3
Source File Reference UWSP137