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(1S,2S,5S,6S)-2,6-Dihydroxy-2,6-bis(quinolin-2-ylmethyl)bicyclo[3.3.0]octane
SpectraBase Compound ID JPcCdetTHb7
InChI InChI=1S/C28H28N2O2/c31-27(17-21-11-9-19-5-1-3-7-25(19)29-21)15-13-24-23(27)14-16-28(24,32)18-22-12-10-20-6-2-4-8-26(20)30-22/h1-12,23-24,31-32H,13-18H2/t23-,24-,27-,28-/m0/s1
InChIKey KIWFCEIWYPYPQI-LSGCGUROSA-N
Mol Weight 424.54 g/mol
Molecular Formula C28H28N2O2
Exact Mass 424.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RXByexLitX
Name (1S,2S,5S,6S)-2,6-Dihydroxy-2,6-bis(quinolin-2-ylmethyl)bicyclo[3.3.0]octane
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Formula C28H28N2O2
InChI InChI=1S/C28H28N2O2/c31-27(17-21-11-9-19-5-1-3-7-25(19)29-21)15-13-24-23(27)14-16-28(24,32)18-22-12-10-20-6-2-4-8-26(20)30-22/h1-12,23-24,31-32H,13-18H2/t23-,24-,27-,28-/m0/s1
InChIKey KIWFCEIWYPYPQI-LSGCGUROSA-N
Molecular Weight 424.544 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@](CC2)(Cc2nc3ccccc3cc2)O)(CC1)[H])[H])Cc1nc2ccccc2cc1
SPLASH splash10-0006-0900000000-a162d2dd850ad8a97218
Source of Spectrum KD-13-2253-4
Synonyms (1S,3aS,4S,6aS)-1,4-bis(2-quinolinylmethyl)octahydro-1,4-pentalenediol
Wiley ID 1635503