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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 1Jpae4haypo
Name
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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 328.2031
SMILES C1(=O)CC2C(C)(CC1)C1=CCC34C(=O)OC(C)C4CCC3C1CC2
SPLASH splash10-0bvi-4972000000-207776325673ce64350b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany