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SCABRAN_G-3
SpectraBase Compound ID 2al91R82Ag9
InChI InChI=1S/C28H40O19/c1-2-9-10-3-4-40-24(39)11(10)6-41-25(9)47-28-23(38)20(35)17(32)14(46-28)8-43-27-22(37)19(34)16(31)13(45-27)7-42-26-21(36)18(33)15(30)12(5-29)44-26/h2-3,6,9,12-23,25-38H,1,4-5,7-8H2/t9-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey GLKHPOLKBCCZTM-UFIDOBNBSA-N
Mol Weight 680.6 g/mol
Molecular Formula C28H40O19
Exact Mass 680.216379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhlCNiTXpPs
Name SCABRAN_G-3
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O19
InChI InChI=1S/C28H40O19/c1-2-9-10-3-4-40-24(39)11(10)6-41-25(9)47-28-23(38)20(35)17(32)14(46-28)8-43-27-22(37)19(34)16(31)13(45-27)7-42-26-21(36)18(33)15(30)12(5-29)44-26/h2-3,6,9,12-23,25-38H,1,4-5,7-8H2/t9-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey GLKHPOLKBCCZTM-UFIDOBNBSA-N
Literature Reference Author M.KIKUCHI,R.KAKUDA,M.KIKUCHI,Y.YAOITA
Literature Reference Citation J.NAT.PROD.,68,751(2005)
Literature Reference DOI 10.1021/np058017o
Molecular Weight 680.614 g/mol
Solvent CD3OD