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4-.beta.-Methyl-4-.alpha.-(methoxycarbonyl)-18-nor-5-.alpha.-androsta-8,11,13-triene
SpectraBase Compound ID CvkS8NYe5c0
InChI InChI=1S/C21H28O2/c1-20-12-5-13-21(2,19(22)23-3)18(20)11-9-16-15-7-4-6-14(15)8-10-17(16)20/h8,10,18H,4-7,9,11-13H2,1-3H3/t18-,20-,21-/m1/s1
InChIKey IBWPFERLSREVSR-HMXCVIKNSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CangtlzvUgP
Name 4-.beta.-Methyl-4-.alpha.-(methoxycarbonyl)-18-nor-5-.alpha.-androsta-8,11,13-triene
Alternate Name(s) 4.beta.-Methyl-4.alpha.-9methoxycarbonyl)-18-nor-5.alpha.-androsta-8,11,13-triene Methyl (4alpha,5alpha)-4,10-dimethylgona-8,11,13-triene-4-carboxylate
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-20-12-5-13-21(2,19(22)23-3)18(20)11-9-16-15-7-4-6-14(15)8-10-17(16)20/h8,10,18H,4-7,9,11-13H2,1-3H3/t18-,20-,21-/m1/s1
InChIKey IBWPFERLSREVSR-HMXCVIKNSA-N
Molecular Weight 312.453 g/mol
SMILES [C@@]12(c3c(c4CCCc4cc3)CC[C@]2([C@@](C(=O)OC)(C)CCC1)[H])C
SPLASH splash10-000i-1291000000-1f0924cbe258a81a31ab
Source of Spectrum Y4-87-122-22
Wiley ID 1550267