Spectrum CCMSLIB00000078372 for Mometasone furoate

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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
83919-23-7
C27H30Cl2O6
520.14194404
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)C=5OC=CC5)(C(=O)CCl)C4(C)CC(O)C32Cl)C
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21-,24+,25+,26-,27-/m1/s1
WOFMFGQZHJDGCX-RRDYVFDESA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
MS2
qTof
520.142
1
Plate6_1_20_GD7_01_15774.mzXML
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
5.395545328662096
0.8326401581192039
521.149
[M+H]+
1.7538938000415234 ppm
-9.140399999978399E-4 Da