Spectrum CCMSLIB00000851775 for NCGC00347645-02_C28H38N2O6_1,9-Dioxacyclohexadeca-3,11-diene-2,10-dione, 3,5,7,11,13,15-hexamethyl-8,16-bis(5-oxazolylmethyl)-, (3E,5S,7R,8R,11E,13S,15R,16R)-

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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
498.272986936
n/a
n/a
C28H38N2O6
O=C1OC(CC=2OC=NC2)C(C)CC(C=C(C(=O)OC(CC=3OC=NC3)C(C)CC(C=C1C)C)C)C
InChI=1S/C28H38N2O6/c1-17-7-19(3)25(11-23-13-29-15-33-23)35-28(32)22(6)10-18(2)8-20(4)26(12-24-14-30-16-34-24)36-27(31)21(5)9-17/h9-10,13-20,25-26H,7-8,11-12H2,1-6H3/b21-9-,22-10+/t17-,18-,19+,20+,25+,26+/m0/s1
LAJRJVDLKYGLOO-FWSDNECISA-N

Mass Spectral Metadata

NameValue
-9.569360000227789E-4 Da
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
498.273
1
positive
G8_RG8_01_8045.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.212776606232425
0.5240110863668653
499.28
[M+H]+
1.916631950053635 ppm