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12.beta.-Hydroxy-5.alpha.-pregnane, butyrate (ester)
SpectraBase Compound ID XvzQ6VXeQA
InChI InChI=1S/C25H42O2/c1-5-9-23(26)27-22-16-21-19(20-14-12-17(6-2)25(20,22)4)13-11-18-10-7-8-15-24(18,21)3/h17-22H,5-16H2,1-4H3
InChIKey AWUUIOQUGSWLBD-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFTYCZM8jSS
Name 12.beta.-Hydroxy-5.alpha.-pregnane, butyrate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 374.318480590 u
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-5-9-23(26)27-22-16-21-19(20-14-12-17(6-2)25(20,22)4)13-11-18-10-7-8-15-24(18,21)3/h17-22H,5-16H2,1-4H3
InChIKey AWUUIOQUGSWLBD-UHFFFAOYSA-N
Molecular Weight 374.609 g/mol
SMILES C1CC2C(CC1)(C1C(CC2)C2C(C(C1)OC(=O)CCC)(C(CC)CC2)C)C