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[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(2'-phenyl-1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
SpectraBase Compound ID EVfjyhvzC4J
InChI InChI=1S/C28H36O2S/c1-27(2,3)30-25-16-15-22-26(23(29)17-18-28(22,25)4)24(19-20-11-7-5-8-12-20)31-21-13-9-6-10-14-21/h5-14,22,24-26H,15-19H2,1-4H3/t22?,24?,25-,26?,28?/m0/s1
InChIKey ISIYSOJMGLZBRM-ZYYLRKPASA-N
Mol Weight 436.7 g/mol
Molecular Formula C28H36O2S
Exact Mass 436.243602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ezzdx0qoI9f
Name [1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(2'-phenyl-1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
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Formula C28H36O2S
InChI InChI=1S/C28H36O2S/c1-27(2,3)30-25-16-15-22-26(23(29)17-18-28(22,25)4)24(19-20-11-7-5-8-12-20)31-21-13-9-6-10-14-21/h5-14,22,24-26H,15-19H2,1-4H3/t22?,24?,25-,26?,28?/m0/s1
InChIKey ISIYSOJMGLZBRM-ZYYLRKPASA-N
Molecular Weight 436.654 g/mol
SMILES C12C([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1C(Sc1ccccc1)Cc1ccccc1)=O)C
SPLASH splash10-054o-9010300000-89d3dae8d467f8c562a2
Source of Spectrum F-47-7589-9
Synonyms (17alpha)-17-tert-butoxy-7-(phenylsulfanyl)-9,10-secoestra-1,3,5(10)-trien-9-one
Wiley ID 1383655