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SCORTECHINONE_W;1-HYDROXY-7-METHOXY-2',2'-DIMETHYL-5'-CARBOXY-5'-(3-CARBOXYLBUT-2-ENYL)-FURANO-(3',4':5,6)-4-(3-METHYLBUTYL-2-ENYL)-4'',4'',5''-TRIMET

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SCORTECHINONE_W;1-HYDROXY-7-METHOXY-2',2'-DIMETHYL-5'-CARBOXY-5'-(3-CARBOXYLBUT-2-ENYL)-FURANO-(3',4':5,6)-4-(3-METHYLBUTYL-2-ENYL)-4'',4'',5''-TRIMET
SpectraBase Compound ID 3t2ni3PV9gk
InChI InChI=1S/C34H38O10/c1-15(2)10-11-18-27-21(26(36)24-28(18)42-17(4)32(24,5)6)25(35)19-14-20(41-9)22-23(29(19)43-27)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,36H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17?,34-/m0/s1
InChIKey FZCGEJLHEWDOTR-SJDNDDLKSA-N
Mol Weight 606.7 g/mol
Molecular Formula C34H38O10
Exact Mass 606.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jb6ywIDao7
Name SCORTECHINONE_W;1-HYDROXY-7-METHOXY-2',2'-DIMETHYL-5'-CARBOXY-5'-(3-CARBOXYLBUT-2-ENYL)-FURANO-(3',4':5,6)-4-(3-METHYLBUTYL-2-ENYL)-4'',4'',5''-TRIMET
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38O10
InChI InChI=1S/C34H38O10/c1-15(2)10-11-18-27-21(26(36)24-28(18)42-17(4)32(24,5)6)25(35)19-14-20(41-9)22-23(29(19)43-27)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,36H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17?,34-/m0/s1
InChIKey FZCGEJLHEWDOTR-SJDNDDLKSA-N
Literature Reference Author Y.SUKPONDMA,V.RUKACHAISIRIKUL,S.PHONGPAICHIT
Literature Reference Citation J.NAT.PROD.,68,1010(2005)
Literature Reference DOI 10.1021/np0580098
Molecular Weight 606.670 g/mol
Solvent CDCl3
Source File Reference UWMZ12071