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4.alpha.-(Methoxycarbonyl)-4.beta.-methyl-15-oxaandrostan-16-one
SpectraBase Compound ID IRrbLDgfk23
InChI InChI=1S/C21H32O4/c1-19-11-8-14-13(17(19)25-16(22)12-19)6-7-15-20(14,2)9-5-10-21(15,3)18(23)24-4/h13-15,17H,5-12H2,1-4H3/t13-,14+,15?,17+,19-,20-,21-/m1/s1
InChIKey JHSPVPAJCBYEGM-IXHKGKHASA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8EmtssK4nq
Name 4.alpha.-(Methoxycarbonyl)-4.beta.-methyl-15-oxaandrostan-16-one
Alternate Name(s) Methyl (3aS,3bR,6R,9aR,9bS,11aR)-6,9a,11a-trimethyl-2-oxohexadecahydrophenanthro[1,2-b]furan-6-carboxylate
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Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-19-11-8-14-13(17(19)25-16(22)12-19)6-7-15-20(14,2)9-5-10-21(15,3)18(23)24-4/h13-15,17H,5-12H2,1-4H3/t13-,14+,15?,17+,19-,20-,21-/m1/s1
InChIKey JHSPVPAJCBYEGM-IXHKGKHASA-N
Molecular Weight 348.483 g/mol
SMILES C1CC[C@]2(C([C@]1(C)C(=O)OC)CC[C@]1([C@@]3(OC(C[C@@]3(C)CC[C@]21[H])=O)[H])[H])C
SPLASH splash10-00a9-9471000000-cb0fc7a98ccec9b4d0a7
Source of Spectrum Y4-84-75-6
Wiley ID 1550056