Spectrum VF-NPL-QEHF007789 for [(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
C21H24N2O10
464.143094968
O=C(OC1C(OC(N2C=CC(O)=NC2=O)C1OC(=O)C)CO)C=3C(OC)=CC(OC)=CC3C
MAWCJLLSYLMLHT-UTRMSSBJSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_571_p05_A08_POS_QEHF_122.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.0152197724907293
0.3590190236701155
487.1322937011719
[M+Na]+
1.172713933251924 ppm
-5.712668281603328E-4 Da