Methyl (6E)-7-(8-acetoxy-2,6-dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)-3,5-dihydroxy-6-heptenoate

enlarge

Systematic / IUPAC Name: Methyl (E)-7-(8-acetyloxy-2,6-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3,5-dihydroxyhept-6-enoate

ID: Reference8007

Other Names: 6-Heptenoic acid, 7-[8-(acetyloxy)-5,6,7,8-tetrahydro-2,6-dimethyl-1-naphthalenyl]-3,5-dihydroxy-, methyl ester, (6E)-

Formula: C22H30O6

Spectral Data

Methyl (6E)-7-(8-acetoxy-2,6-dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)-3,5-dihydroxy-6-heptenoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 233
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/28/2018 1:11:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H30O6/c1-13-9-16-6-5-14(2)19(22(16)20(10-13)28-15(3)23)8-7-17(24)11-18(25)12-21(26)27-4/h5-8,13,17-18,20,24-25H,9-12H2,1-4H3/b8-7+
InChI Key PLYNBLLEIDIMDU-BQYQJAHWSA-N
Canonical SMILES CC1CC(C2=C(C1)C=CC(=C2C=CC(CC(CC(=O)OC)O)O)C)OC(=O)C
CAS
Splash
Other Names 6-Heptenoic acid, 7-[8-(acetyloxy)-5,6,7,8-tetrahydro-2,6-dimethyl-1-naphthalenyl]-3,5-dihydroxy-, methyl ester, (6E)-

In Other Databases

ChemSpider 29814824
PubChem 75368741