Spectrum VF-NPL-QEHF000225 for Progesterone

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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/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
C21H30O2
314.2245802
O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1
RJKFOVLPORLFTN-LEKSSAKUSA-N

Mass Spectral Metadata

NameValue
65HCD
120_17_POS_QEHF_64.raw
7
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.290645419234418
0.7643947078904918
315.2319030761719
[M+H]+
2.05285005039646 ppm
-6.471238281164915E-4 Da