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

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(1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,6,8-Triacetoxy-9-benzoyloxy-15-(2-methylbutyroyloxy)-2,4-dihydroxydihydro-.beta.-agarofuran
SpectraBase Compound ID LdlC2FrqfTa
InChI InChI=1S/C33H44O13/c1-9-17(2)28(38)41-16-32-25(43-19(4)35)22(37)15-31(8,40)33(32)26(44-20(5)36)23(30(6,7)46-33)24(42-18(3)34)27(32)45-29(39)21-13-11-10-12-14-21/h10-14,17,22-27,37,40H,9,15-16H2,1-8H3/t17?,22-,23+,24-,25-,26+,27+,31-,32-,33-/m0/s1
InChIKey PKGHSLPELYWQSF-NDIWXVCZSA-N
Mol Weight 648.7 g/mol
Molecular Formula C33H44O13
Exact Mass 648.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkqJmzdyT5H
Name (1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,6,8-TRIACETOXY-9-BENZOYLOXY-15-(2-METHYLBUTYROYLOXY)-2,4-DIHYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44O13
InChI InChI=1S/C33H44O13/c1-9-17(2)28(38)41-16-32-25(43-19(4)35)22(37)15-31(8,40)33(32)26(44-20(5)36)23(30(6,7)46-33)24(42-18(3)34)27(32)45-29(39)21-13-11-10-12-14-21/h10-14,17,22-27,37,40H,9,15-16H2,1-8H3/t17?,22-,23+,24-,25-,26+,27+,31-,32-,33-/m0/s1
InChIKey PKGHSLPELYWQSF-NDIWXVCZSA-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 648.705 g/mol
Solvent CDCl3
Source File Reference UWSP136