Spectrum CCMSLIB00000077075 for Medroxyprogesterone 17-acetate

Rating: (*)★(*)★(*)★(*)★(*)☆

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
C24H34O4
386.245709568
O=C(OC1(C(=O)C)CCC2C3CC(C4=CC(=O)CCC4(C)C3CCC21C)C)C
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
PSGAAPLEWMOORI-PEINSRQWSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
386.246
1
NCP003017_G2_H11_2_BB1_01_15712.mzXML
MS2
GNPS-NIH-CLINICALCOLLECTION2
negarg, Garg_Neha, Dorrestein
positive
3.962204638461278
0.7629958715682474
387.255
[M+H]+
3.409722276019632 ppm
0.0013204319999999825 Da