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(-)-menthyl (3S)-4-(1',5'-dimethoxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
SpectraBase Compound ID Lc2dNFOhabb
InChI InChI=1S/C31H38O7/c1-17(2)20-12-10-18(3)14-24(20)38-25(32)16-31(4,35)15-19-11-13-22-27(30(19)37-6)29(34)21-8-7-9-23(36-5)26(21)28(22)33/h7-9,11,13,17-18,20,24,35H,10,12,14-16H2,1-6H3/t18?,20?,24?,31-/m0/s1
InChIKey WHRFUMLIKBMACN-DFCNPTKGSA-N
Mol Weight 522.6 g/mol
Molecular Formula C31H38O7
Exact Mass 522.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHbnpOTgtDH
Name (-)-menthyl (3S)-4-(1',5'-dimethoxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
Alternate Name(s) 2-isopropyl-5-methylcyclohexyl (3S)-4-(1,5-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-hydroxy-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O7
InChI InChI=1S/C31H38O7/c1-17(2)20-12-10-18(3)14-24(20)38-25(32)16-31(4,35)15-19-11-13-22-27(30(19)37-6)29(34)21-8-7-9-23(36-5)26(21)28(22)33/h7-9,11,13,17-18,20,24,35H,10,12,14-16H2,1-6H3/t18?,20?,24?,31-/m0/s1
InChIKey WHRFUMLIKBMACN-DFCNPTKGSA-N
Molecular Weight 522.638 g/mol
SMILES O[C@](CC(OC1C(CCC(C1)C)C(C)C)=O)(Cc1c(c2C(c3cccc(c3C(c2cc1)=O)OC)=O)OC)C
SPLASH splash10-007o-0091240000-89aea1784060c338cc01
Source of Spectrum B-47-2135-0
Wiley ID 1402296