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(Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-hydroxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one
SpectraBase Compound ID 91wFP6dRVNK
InChI InChI=1S/C25H27N3O3/c29-23-15-9-13-20-12-7-2-1-3-8-14-22(31-25(30)24(20)23)16-21-18-28(27-26-21)17-19-10-5-4-6-11-19/h2,4-7,9-11,13,15,18,22,29H,1,3,8,12,14,16-17H2/b7-2-/t22-/m1/s1
InChIKey BULYLMOSLLBGIL-KQRVUMRMSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WBWHPrlRIZ
Name (Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-hydroxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one
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Formula C25H27N3O3
InChI InChI=1S/C25H27N3O3/c29-23-15-9-13-20-12-7-2-1-3-8-14-22(31-25(30)24(20)23)16-21-18-28(27-26-21)17-19-10-5-4-6-11-19/h2,4-7,9-11,13,15,18,22,29H,1,3,8,12,14,16-17H2/b7-2-/t22-/m1/s1
InChIKey BULYLMOSLLBGIL-KQRVUMRMSA-N
Molecular Weight 417.509 g/mol
SMILES Oc1c2C(O[C@@](Cc3nn[n](c3)Cc3ccccc3)(CCCC\C=C/Cc2ccc1)[H])=O
SPLASH splash10-0006-9100300000-56856290eeee9d9e2627
Source of Spectrum K1-2007-86-18
Synonyms (3R)-3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-14-hydroxy-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-1-one 14-Hydroxy-3-{[1'-(phenylmethyl)-1H-1',2',3'-triazol-4'-yl]methyl}-(hexahydro-1H)-2-benzoxacyclododecin-1-one
Wiley ID 1638982