Spectrum VF-NPL-QEHF000253 for Hydroxyprogesterone

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
C21H30O3
330.21949481999997
O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1
DBPWSSGDRRHUNT-CEGNMAFCSA-N

Mass Spectral Metadata

NameValue
MS2
35HCD
120_23_NEG_QEHF_90.raw
12
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
direct injection
3.1345937604010965
0.5383082697034253
329.2121887207031
[M-H]-
0.0914282577673025 ppm
-3.0099296850494284E-5 Da