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LOBETYOLIN-HEXAACETATE;9-O-BETA-D-GLUCOPYRANOSYL-2,10-TETRADECADIEN-4,6-DIYNE-8,14-DIOL-HEXAACETYLATED
SpectraBase Compound ID DPJ2ozvQvuF
InChI InChI=1S/C32H40O14/c1-8-9-10-11-13-16-26(41-22(4)35)27(17-14-12-15-18-39-20(2)33)45-32-31(44-25(7)38)30(43-24(6)37)29(42-23(5)36)28(46-32)19-40-21(3)34/h8-9,14,17,26-32H,12,15,18-19H2,1-7H3/b9-8+,17-14+/t26?,27?,28-,29-,30+,31-,32-/m1/s1
InChIKey JDYRHVYBGYTLLW-RASMYGFQSA-N
Mol Weight 648.7 g/mol
Molecular Formula C32H40O14
Exact Mass 648.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpDy4bLTWhY
Name LOBETYOLIN-HEXAACETATE;9-O-BETA-D-GLUCOPYRANOSYL-2,10-TETRADECADIEN-4,6-DIYNE-8,14-DIOL-HEXAACETYLATED
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40O14
InChI InChI=1S/C32H40O14/c1-8-9-10-11-13-16-26(41-22(4)35)27(17-14-12-15-18-39-20(2)33)45-32-31(44-25(7)38)30(43-24(6)37)29(42-23(5)36)28(46-32)19-40-21(3)34/h8-9,14,17,26-32H,12,15,18-19H2,1-7H3/b9-8+,17-14+/t26?,27?,28-,29-,30+,31-,32-/m1/s1
InChIKey JDYRHVYBGYTLLW-RASMYGFQSA-N
Literature Reference Author K.ISHIMARU,H.YONEMITSU,K.SHIMOMURA
Literature Reference Citation PHYTOCHEM.,30,2255(1991)
Literature Reference DOI 10.1016/0031-9422(91)83624-T
Molecular Weight 648.661 g/mol
Solvent CDCl3
Source File Reference UWSI25127