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CUCUMERIN-B;ISOVITEXIN-8-(4-HYDROXY-1-ETHYLBENZENE)

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CUCUMERIN-B;ISOVITEXIN-8-(4-HYDROXY-1-ETHYLBENZENE)
SpectraBase Compound ID 191VyyoQhYm
InChI InChI=1S/C29H28O11/c1-12(13-2-6-15(31)7-3-13)20-24(35)22(29-27(38)26(37)23(34)19(11-30)40-29)25(36)21-17(33)10-18(39-28(20)21)14-4-8-16(32)9-5-14/h2-10,12,19,23,26-27,29-32,34-38H,11H2,1H3/t12?,19-,23-,26+,27-,29+/m1/s1
InChIKey AEQPLRPDNSGKQU-YHDBAIQYSA-N
Mol Weight 552.53 g/mol
Molecular Formula C29H28O11
Exact Mass 552.163162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOyLYZM0bGD
Name CUCUMERIN-B;ISOVITEXIN-8-(4-HYDROXY-1-ETHYLBENZENE)
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O11
InChI InChI=1S/C29H28O11/c1-12(13-2-6-15(31)7-3-13)20-24(35)22(29-27(38)26(37)23(34)19(11-30)40-29)25(36)21-17(33)10-18(39-28(20)21)14-4-8-16(32)9-5-14/h2-10,12,19,23,26-27,29-32,34-38H,11H2,1H3/t12?,19-,23-,26+,27-,29+/m1/s1
InChIKey AEQPLRPDNSGKQU-YHDBAIQYSA-N
Literature Reference Author D.J.MCNALLY,K.V.WURMS,C.LABBE,S.QUIDEAU,R.R.BELANGER
Literature Reference Citation J.NAT.PROD.,66,1280(2003)
Literature Reference DOI 10.1021/np030150y
Molecular Weight 552.535 g/mol
Solvent DMSO-D6
Source File Reference UWSP1044