For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(-)-menthyl 3-(1',5'-dihydroxy-9',10'-anthraquinon-2'-yl)-3-hydroxypropanoate (mixture of diastereomers)
SpectraBase Compound ID H2UexbkxH3f
InChI InChI=1S/C27H30O7/c1-13(2)15-8-7-14(3)11-21(15)34-22(30)12-20(29)16-9-10-18-24(25(16)31)27(33)17-5-4-6-19(28)23(17)26(18)32/h4-6,9-10,13-15,20-21,28-29,31H,7-8,11-12H2,1-3H3
InChIKey IEPFCNQFXQJBNL-UHFFFAOYSA-N
Mol Weight 466.53 g/mol
Molecular Formula C27H30O7
Exact Mass 466.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G2eg5jGsTg9
Name (-)-menthyl 3-(1',5'-dihydroxy-9',10'-anthraquinon-2'-yl)-3-hydroxypropanoate (mixture of diastereomers)
Alternate Name(s) (-)-menthyl 3-(1',5'-dihydroxy-9',10'-anthraquinon-2'-yl)-3-hydroxypropanoate (1:2:1 mixture of diastereomers) 2-isopropyl-5-methylcyclohexyl 3-(1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-hydroxypropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O7
InChI InChI=1S/C27H30O7/c1-13(2)15-8-7-14(3)11-21(15)34-22(30)12-20(29)16-9-10-18-24(25(16)31)27(33)17-5-4-6-19(28)23(17)26(18)32/h4-6,9-10,13-15,20-21,28-29,31H,7-8,11-12H2,1-3H3
InChIKey IEPFCNQFXQJBNL-UHFFFAOYSA-N
Molecular Weight 466.530 g/mol
SMILES Oc1c2c(C(c3c(cccc3C2=O)O)=O)ccc1C(CC(OC1C(CCC(C1)C)C(C)C)=O)O
SPLASH splash10-00kb-0035900000-cadb5ef29123d10501df
Source of Spectrum B-47-2135-0
Wiley ID 1391992