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

*Links on SpectraBase are not permalinks.
METHYL-(E)-6-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-METHYLHEX-4-ENOATE
SpectraBase Compound ID 6OVrz2W8X8t
InChI InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+
InChIKey ZPXRQFLATDNYSS-BJMVGYQFSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 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 4ffFRNh9SS
Name Mycophenolic acid ME
Classification Immunosuppressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 334.141638422 u
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+
InChIKey ZPXRQFLATDNYSS-BJMVGYQFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.368 g/mol
Related CAS Registry Number(s) 24280-93-1
SMILES c1(c(OC)c(C\C=C\(CCC(=O)OC)C)c(c2C(=O)OCc12)O)C
SPLASH splash10-05mk-0292000000-4dd3c1ff49daf842d8a4
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6420