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21-Hydroxy-5α-pregnane-3,20-dione, acetate

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21-Hydroxy-5α-pregnane-3,20-dione, acetate
SpectraBase Compound ID K7q2LcNdogy
InChI InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15,17-20H,4-13H2,1-3H3/t15-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKey XEKDDLIAJWEAHP-SMOYVKEESA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CucgVhKuN0n
Name 21-Hydroxy-5alpha-pregnane-3,20-dione, acetate
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15,17-20H,4-13H2,1-3H3/t15-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKey XEKDDLIAJWEAHP-SMOYVKEESA-N
Molecular Weight 374.521 g/mol
SMILES C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])[H])(C(COC(C)=O)=O)[H])C)[H])C