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(1R,3R,6S,9R)-3-[Hydroxy(4-biphenyl)phenylmethyl]-11,11-dimethyl-2-oxa-4-thiatricyclo[4.4.0.1(6,9)]undecane diasterisomer
SpectraBase Compound ID 65slZ19RleU
InChI InChI=1S/C30H32O2S/c1-28(2)25-17-18-29(28)20-33-27(32-26(29)19-25)30(31,23-11-7-4-8-12-23)24-15-13-22(14-16-24)21-9-5-3-6-10-21/h3-16,25-27,31H,17-20H2,1-2H3/t25-,26-,27-,29-,30?/m0/s1
InChIKey NHTFCDVTAFPMKU-UUYBVPLTSA-N
Mol Weight 456.6 g/mol
Molecular Formula C30H32O2S
Exact Mass 456.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8VYiAWkPoE
Name (1R,3R,6S,9R)-3-[Hydroxy(4-biphenyl)phenylmethyl]-11,11-dimethyl-2-oxa-4-thiatricyclo[4.4.0.1(6,9)]undecane diasterisomer
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Formula C30H32O2S
InChI InChI=1S/C30H32O2S/c1-28(2)25-17-18-29(28)20-33-27(32-26(29)19-25)30(31,23-11-7-4-8-12-23)24-15-13-22(14-16-24)21-9-5-3-6-10-21/h3-16,25-27,31H,17-20H2,1-2H3/t25-,26-,27-,29-,30?/m0/s1
InChIKey NHTFCDVTAFPMKU-UUYBVPLTSA-N
Molecular Weight 456.644 g/mol
SMILES OC([C@@]1(SC[C@]23[C@@](O1)(C[C@@](C3(C)C)(CC2)[H])[H])[H])(c1ccc(cc1)-c1ccccc1)c1ccccc1
SPLASH splash10-0a4s-2930000000-a9dce30c4ddafcabe37e
Source of Spectrum H1-44-403-21
Wiley ID 758238