Spectrum CCMSLIB00000848842 for NCGC00169422-02!(2R,3S,4S,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane

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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
n/a
n/a
InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21+,22+/m0/s1
C22H28O5
372.193673996
O(C1=CC=C(C=C1OC)C2OC(C3=CC=C(OC)C(OC)=C3)C(C)C2C)C
JLJAVUZBHSLLJL-HCIHMXRSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
372.194
1
positive
G12_RG12_01_2781.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.642698494939284
0.6206362616939667
355.19
[M-H2O+H]+
10.405709620218362 ppm
0.0036960040000053596 Da