Kipukasin I

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Systematic / IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate

ID: Reference7937

Other Names: Uridine, 3'-(4-hydroxy-2-methoxy-6-methylbenzoate);
3'-O-(4-Hydroxy-2-methoxy-6-methylbenzoyl)uridine

Formula: C18H20N2O9

Spectral Data

Kipukasin I mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2018 8:39:11 AM
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Identificators

InChI InChI=1S/C18H20N2O9/c1-8-5-9(22)6-10(27-2)13(8)17(25)29-15-11(7-21)28-16(14(15)24)20-4-3-12(23)19-18(20)26/h3-6,11,14-16,21-22,24H,7H2,1-2H3,(H,19,23,26)/t11-,14-,15-,16-/m1/s1
InChI Key LOUBNBRAJPSMEC-RAEVTNRLSA-N
Canonical SMILES CC1=CC(=CC(=C1C(=O)OC2C(OC(C2O)N3C=CC(=O)NC3=O)CO)OC)O
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Other Names Uridine, 3'-(4-hydroxy-2-methoxy-6-methylbenzoate);
3'-O-(4-Hydroxy-2-methoxy-6-methylbenzoyl)uridine

In Other Databases

ChemSpider 32675035
PubChem 38353028