Spectrum NGA02128 for Desoxycortone

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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
O=C1C=C2CCC3C(CCC4(C)C(C(=O)CO)CCC34)C2(C)CC1
Steroids
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
ZESRJSPZRDMNHY-YFWFAHHUSA-N
C21H30O3
330.21949482

Mass Spectral Metadata

NameValue
NGA02128
2018.04.04
0.0 Da
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
Origin: Animal, Pregnanes
330.4715
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
3.167941492638149
0.8587815167300131
[M+H]+
331.22746482
0.0 ppm