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21-Hydroxy-5.beta.-pregnane-3,11,20-trione

View entire compound with spectra: 1 NMR

21-Hydroxy-5.beta.-pregnane-3,11,20-trione
SpectraBase Compound ID C8J1dF0Taah
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3
InChIKey ZDUVZJUTJOBJHS-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xk6FKopTCW
Name 21-Hydroxy-5.beta.-pregnane-3,11,20-trione
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3
InChIKey ZDUVZJUTJOBJHS-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1(=O)C2C(C3C(C1)(C(C(=O)CO)CC3)C)CCC1CC(=O)CCC21C