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CAERULEOSIDE_B
SpectraBase Compound ID 3L1rWRnjKtJ
InChI InChI=1S/C33H44O18/c1-4-13-15-6-7-43-29(41)17(15)10-45-30(13)50-33-26(39)24(37)27-20(48-33)12-44-21(49-27)8-16-14(5-2)31(46-11-18(16)28(40)42-3)51-32-25(38)23(36)22(35)19(9-34)47-32/h4-5,10-11,13-16,19-27,30-39H,1-2,6-9,12H2,3H3/t13-,14+,15+,16-,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+,31-,32+,33-/m1/s1
InChIKey HADYJKOVEHJYKM-FLYQNBGDSA-N
Mol Weight 728.7 g/mol
Molecular Formula C33H44O18
Exact Mass 728.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqAYK2LTv8S
Name CAERULEOSIDE_B
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44O18
InChI InChI=1S/C33H44O18/c1-4-13-15-6-7-43-29(41)17(15)10-45-30(13)50-33-26(39)24(37)27-20(48-33)12-44-21(49-27)8-16-14(5-2)31(46-11-18(16)28(40)42-3)51-32-25(38)23(36)22(35)19(9-34)47-32/h4-5,10-11,13-16,19-27,30-39H,1-2,6-9,12H2,3H3/t13-,14+,15+,16-,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+,31-,32+,33-/m1/s1
InChIKey HADYJKOVEHJYKM-FLYQNBGDSA-N
Literature Reference Author K.MACHIDA,J.ASANO,M.KIKUCHI
Literature Reference Citation PHYTOCHEM.,39,111(1995)
Literature Reference DOI 10.1016/0031-9422(94)00853-L
Molecular Weight 728.702 g/mol
Solvent CD3OD
Source File Reference UWMZ8327