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3-METHYL-2-BUTENYL-O-BETA-D-APIO-FURANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9KxpPxRRjBs
InChI InChI=1S/C28H40O16/c1-14(2)9-10-35-26-24(41-18(6)32)23(40-17(5)31)22(39-16(4)30)21(43-26)11-36-27-25(42-19(7)33)28(13-38-27,44-20(8)34)12-37-15(3)29/h21-27H,1,9-13H2,2-8H3/t21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
InChIKey IGSKTCDISRLDDP-QEQYYLBASA-N
Mol Weight 632.6 g/mol
Molecular Formula C28H40O16
Exact Mass 632.231635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YX1MbCWg0C
Name 3-METHYL-2-BUTENYL-O-BETA-D-APIO-FURANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O16
InChI InChI=1S/C28H40O16/c1-14(2)9-10-35-26-24(41-18(6)32)23(40-17(5)31)22(39-16(4)30)21(43-26)11-36-27-25(42-19(7)33)28(13-38-27,44-20(8)34)12-37-15(3)29/h21-27H,1,9-13H2,2-8H3/t21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
InChIKey IGSKTCDISRLDDP-QEQYYLBASA-N
Literature Reference Author R.BALTENWECK-GUYOT,J.M.TRENDEL,P.ALBRECHT,A.SCHAEFFER
Literature Reference Citation J.NAT.PROD.,60,1326(1997)
Literature Reference DOI 10.1021/np970281x
Molecular Weight 632.616 g/mol
Solvent CDCl3
Source File Reference UWRU318