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10-O-TRANS-PARA-COUMAROYLSCANDOSIDE
SpectraBase Compound ID CmreyotJjtX
InChI InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16+,18-,19+,20+,21-,22+,24+,25-/m1/s1
InChIKey AENHXJZDACLRQM-OPAXTQKCSA-N
Mol Weight 536.49 g/mol
Molecular Formula C25H28O13
Exact Mass 536.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JMtjzr1RbT
Name 10-O-(E)-PARA-COUMAROYL-SCANDOSIDE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O13
InChI InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16+,18-,19+,20+,21-,22+,24+,25-/m1/s1
InChIKey AENHXJZDACLRQM-OPAXTQKCSA-N
Literature Reference Author B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA
Literature Reference Citation CHEM.PHARM.BULL.,57,765(2009)
Literature Reference DOI 10.1248/cpb.57.765
Molecular Weight 536.490 g/mol
Sample ID 2646
Solvent C5D5N