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SCORTECHINONE_U;1,7-DIHYDROXY-5-(2'-HYDROXYISOPROPYL)-2-(3-METHYLBUTYL-2-ENYL)-4'',4'',5''-TRIMETHYLFURANO-(2'',3'':3,4)-XANTHONE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

SCORTECHINONE_U;1,7-DIHYDROXY-5-(2'-HYDROXYISOPROPYL)-2-(3-METHYLBUTYL-2-ENYL)-4'',4'',5''-TRIMETHYLFURANO-(2'',3'':3,4)-XANTHONE
SpectraBase Compound ID Ky1uTfEVtuC
InChI InChI=1S/C26H30O6/c1-12(2)8-9-15-20(28)18-21(29)16-10-14(27)11-17(26(6,7)30)22(16)32-24(18)19-23(15)31-13(3)25(19,4)5/h8,10-11,13,27-28,30H,9H2,1-7H3/t13-/m1/s1
InChIKey UZFQFSWIIKYKFR-CYBMUJFWSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90ZXerJWtt
Name Scortechinone U
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-12(2)8-9-15-20(28)18-21(29)16-10-14(27)11-17(26(6,7)30)22(16)32-24(18)19-23(15)31-13(3)25(19,4)5/h8,10-11,13,27-28,30H,9H2,1-7H3/t13-/m1/s1
InChIKey UZFQFSWIIKYKFR-CYBMUJFWSA-N
Instrument Name VG ZAB 2SEQ or MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.1021/np0580098
Molecular Weight 438.520 g/mol
Optical Rotation [a]D28 = -273 (c = 0.06, MeOH)
Reported Formula C26H30O6
SMILES Oc1cc(C(O)(C)C)c2c(c1)C(c1c(O2)c2c(c(c1O)CC=C(C)C)O[C@@](C2(C)C)(C)[H])=O
SPLASH splash10-001i-0009200000-9efbc46f9c2cbd15a6a6
Source of Spectrum G4-68-1016-5
Wiley ID 1882050