(2S,3R,4R,5S,6E,14S)-4-Acetoxy-2-ammonio-3,5,14-trihydroxy-6-icosenoate

enlarge

Systematic / IUPAC Name: (2S,3R,4R,5S,6E,14S)-4-Acetoxy-2-ammonio-3,5,14-trihydroxy-6-icosenoate

ID: Reference7552

Other Names:

Formula: C22H41NO7

Spectral Data

(2S,3R,4R,5S,6E,14S)-4-Acetoxy-2-ammonio-3,5,14-trihydroxy-6-icosenoate 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/15/2018 9:17:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19-,20+,21+/m0/s1
InChI Key OOEOVXMORBPOKC-AHNDFMKZSA-N
Canonical SMILES CCCCCCC(CCCCCCC=CC(C(C(C(C(=O)O)N)O)OC(=O)C)O)O
CAS
Splash
Other Names

In Other Databases

PubChem 38348391
ChemSpider 62568602