Spectrum FFF00061 for 1,4-Androstadiene-3,17-dione

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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
Natural Product; Anabolic Steroid
InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
LUJVUUWNAPIQQI-QAGGRKNESA-N
C19H24O2
284.177630008
O=C1C=CC2(C(=C1)CCC3C2CCC4(C(=O)CCC34)C)C

Mass Spectral Metadata

NameValue
FFF00061
2016.01.19 (Created 2011.03.01)
Atsushi Yamamoto
CC BY-SA
PFOS.jp
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
284.17763
API2000
LC-APPI-QQ
MS2
0.820850 min
positive
0.4744634563217075
0.0954690705105937
267.3
[M-H2O+H]+
485.3722109988684 ppm
0.12973999199999753 Da