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(3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]-2,3,5,6,7,7a-hexahydro-1H-indole-5,6-diol
SpectraBase Compound ID 3uXNuqdbiWM
InChI InChI=1S/C22H23NO6S/c1-13-2-5-15(6-3-13)30(26,27)23-11-17(16-9-19(24)20(25)10-18(16)23)14-4-7-21-22(8-14)29-12-28-21/h2-9,17-20,24-25H,10-12H2,1H3/t17-,18-,19-,20+/m0/s1
InChIKey RYALLZWUBKJCCJ-LWYYNNOASA-N
Mol Weight 429.49 g/mol
Molecular Formula C22H23NO6S
Exact Mass 429.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CASNNw0Z6MU
Name (3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)sulfonyl]-2,3,5,6,7,7a-hexahydro-1H-indole-5,6-diol
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Formula C22H23NO6S
InChI InChI=1S/C22H23NO6S/c1-13-2-5-15(6-3-13)30(26,27)23-11-17(16-9-19(24)20(25)10-18(16)23)14-4-7-21-22(8-14)29-12-28-21/h2-9,17-20,24-25H,10-12H2,1H3/t17-,18-,19-,20+/m0/s1
InChIKey RYALLZWUBKJCCJ-LWYYNNOASA-N
Molecular Weight 429.487 g/mol
SMILES O[C@]1([C@](C=C2[C@](C1)(N(C[C@]2(c1cc2OCOc2cc1)[H])S(c1ccc(cc1)C)(=O)=O)[H])(O)[H])[H]
SPLASH splash10-000l-9466500000-4aec2aca53ae9e0d7545
Source of Spectrum J-73-7584-21
Synonyms (3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-2,3,5,6,7,7a-hexahydroindole-5,6-diol (3S,5S,6R,7aS)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2,3,5,6,7,7a-hexahydroindole-5,6-diol
Wiley ID 1668670