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Pregnane-3,20-dione, 21-(acetyloxy)-17-hydroxy-

View entire compound with spectra: 2 NMR

Pregnane-3,20-dione, 21-(acetyloxy)-17-hydroxy-
SpectraBase Compound ID IgEd1uFIHtr
InChI InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15,17-19,27H,4-13H2,1-3H3
InChIKey SDSTWQKFZBIDEK-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3k90vdOgdw2
Name Pregnane-3,20-dione, 21-(acetyloxy)-17-hydroxy-
Comments Computed using HOSE algorithm
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Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15,17-19,27H,4-13H2,1-3H3
InChIKey SDSTWQKFZBIDEK-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES OC1(C2(C(C3CCC4C(C3CC2)(CCC(=O)C4)C)CC1)C)C(COC(=O)C)=O