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(20S)-20-Hydroxy-5.alpha.-stigmastan-3.beta.-yl acetate
SpectraBase Compound ID LGo3NXH0TNn
InChI InChI=1S/C31H54O3/c1-8-22(20(2)3)13-18-31(7,33)28-12-11-26-25-10-9-23-19-24(34-21(4)32)14-16-29(23,5)27(25)15-17-30(26,28)6/h20,22-28,33H,8-19H2,1-7H3/t22?,23-,24-,25?,26?,27?,28-,29-,30-,31-/m0/s1
InChIKey BEFDXPFVYIQVAK-CDSDUSFWSA-N
Mol Weight 474.8 g/mol
Molecular Formula C31H54O3
Exact Mass 474.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAw9jxwfCy5
Name (20S)-20-Hydroxy-5.alpha.-stigmastan-3.beta.-yl acetate
Alternate Name(s) (3beta,5alpha)-20-hydroxystigmastan-3-yl acetate
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Formula C31H54O3
InChI InChI=1S/C31H54O3/c1-8-22(20(2)3)13-18-31(7,33)28-12-11-26-25-10-9-23-19-24(34-21(4)32)14-16-29(23,5)27(25)15-17-30(26,28)6/h20,22-28,33H,8-19H2,1-7H3/t22?,23-,24-,25?,26?,27?,28-,29-,30-,31-/m0/s1
InChIKey BEFDXPFVYIQVAK-CDSDUSFWSA-N
Molecular Weight 474.770 g/mol
SMILES O[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(CCC(C(C)C)CC)C
SPLASH splash10-0pbc-0096200000-9a925fd42e723fe00a16
Source of Spectrum K-2001-2235-33
Wiley ID 1579683