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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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKS1aoACffS
Name Scortechinone W
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 606.668 g/mol
SMILES Oc1c2c(c(c3c1C(c1c(c4c([C@](C\C=C\(C(=O)O)C)(OC4(C)C)C(=O)O)c(c1)OC)O3)=O)CC=C(C)C)OC(C2(C)C)C
SPLASH splash10-03di-0004910000-35df83612f30c5182c0d
Source of Spectrum X2-68-1016-7
Wiley ID 1609603