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PHYLLANEMBLININ-E;4-O-NEOCHEBULOYL-1-O-GALLOYL-BETA-D-GLUCOSE
SpectraBase Compound ID LLHdbGtUwWz
InChI InChI=1S/C27H26O20/c28-5-12-21(19(37)20(38)27(44-12)47-24(41)6-1-9(29)16(34)10(30)2-6)45-26(43)8(4-13(32)33)15-14-7(3-11(31)17(35)18(14)36)25(42)46-22(15)23(39)40/h1-3,8,12,15,19-22,27-31,34-38H,4-5H2,(H,32,33)(H,39,40)/t8-,12-,15+,19-,20-,21-,22+,27+/m1/s1
InChIKey USIIDHZUZNJCDA-HOJCVQJCSA-N
Mol Weight 670.48 g/mol
Molecular Formula C27H26O20
Exact Mass 670.101743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m8s0hslQqg
Name PHYLLANEMBLININ-E;4-O-NEOCHEBULOYL-1-O-GALLOYL-BETA-D-GLUCOSE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O20
InChI InChI=1S/C27H26O20/c28-5-12-21(19(37)20(38)27(44-12)47-24(41)6-1-9(29)16(34)10(30)2-6)45-26(43)8(4-13(32)33)15-14-7(3-11(31)17(35)18(14)36)25(42)46-22(15)23(39)40/h1-3,8,12,15,19-22,27-31,34-38H,4-5H2,(H,32,33)(H,39,40)/t8-,12-,15+,19-,20-,21-,22+,27+/m1/s1
InChIKey USIIDHZUZNJCDA-HOJCVQJCSA-N
Literature Reference Author Y.J.ZHANG,T.ABE,T.TANAKA,C.R.YANG,I.KOUNO
Literature Reference Citation J.NAT.PROD.,64,1527(2001)
Literature Reference DOI 10.1021/np010370g
Molecular Weight 670.491 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2394