Spectrum CCMSLIB00000077116 for CORTISONE ACETATE

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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
C23H30O6
402.20423867999995
O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C)C
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
ITRJWOMZKQRYTA-RFZYENFJSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
402.204
1
NCP003106_G2_H11_BB5_01_15708.mzXML
MS2
GNPS-NIH-CLINICALCOLLECTION2
negarg, Garg_Neha, Dorrestein
positive
4.082113417877807
0.8023658224628684
403.213
[M+H]+
1.9625359303290244 ppm
7.91320000075757E-4 Da