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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 7LF2o5JD0it
Name Pregn-9(11)-en-20-ol-3-on-19-oic acid lactone
Alternate Name(s) 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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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
SMILES C1(CCC2(C(C1)CCC1C2=CCC23C1CCC3C(C)OC2=O)C)=O
SPLASH splash10-0bvi-4972000000-8ee9bb4832c66e6a39b8
Wiley ID 1484999