Spectrum VF-NPL-LTQ002474 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
35
MX_C2_571_p05_A08_POS_iTree_05.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
2.2212249614108894
0.8011375591315674
503.09079790115356
M+K
299.3437118602064 ppm
-0.15059706684644425 Da