Spectrum VF-NPL-QTOF002602 for 2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde

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
AQCKKGIVKOHRLM-HBFAXEOFSA-N
C23H30O4
370.21440944
O=CC1=C(O)C(=C(O)C=C1C)CC=C(C=CC2(C)C(C(=O)CCC2C)C)C
InChI=1S/C23H30O4/c1-14(10-11-23(5)16(3)7-9-20(25)17(23)4)6-8-18-21(26)12-15(2)19(13-24)22(18)27/h6,10-13,16-17,26-27H,7-9H2,1-5H3/b11-10+,14-6+/t16-,17+,23+/m1/s1

Mass Spectral Metadata

NameValue
MS2
0.14015496517735468
369.2062
[M-H]-
2.5282348995844752 ppm
-9.334399999829657E-4 Da
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
MX_C1_360
5.957 minutes
0.09714801895416071