Spectrum VF-NPL-QEHF004575 for Aphidicolin

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/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
C20H34O4
338.245709568
OCC1(O)CCC23CC1CC3CCC4C(C)(CO)C(O)CCC42C
NOFOAYPPHIUXJR-APNQCZIXSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_221_p17_H09_POS_QEHF_954.raw
8
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.877523594383538
0.7980937021223526
377.2088623046875
[M+K]+
358.2823120505737 ppm
-0.13514726331248994 Da