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Pregn-9(11)-en-20-ol-3-on-19-oic acid lactone
SpectraBase Compound ID 2QfKry1wyuf
InChI InChI=1S/C21H28O3/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12/h8,12-13,15-16,18H,3-7,9-11H2,1-2H3
InChIKey STDJKVLGDVFCEA-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPorp9DbYJg
Name 3,11A-DIMETHYL-4,5,5A,5B,6,7,7A,8,10,11,11A,13-DODECAHYDRO-3H-NAPHTHO[2',1':4,5]INDENO[1,7A-C]FURAN-1,9(3AH)-DIONE
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Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12/h8,12-13,15-16,18H,3-7,9-11H2,1-2H3
InChIKey STDJKVLGDVFCEA-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
Nominal Mass 328 u
Number of Peaks 269
SMILES C1(CCC2(C(C1)CCC1C2=CCC23C1CCC3C(C)OC2=O)C)=O
SPLASH splash10-0bvi-4972000000-207776325673ce64350b
Source File Reference LMCM-94034-427T
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 6,13-dimethyl-7-oxapentacyclo[10.8.0.0(2,9).0(5,9).0(13,18)]icos-11-ene-8,16-dione
Wiley ID 8_18333