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(3S,5R)-3-[3-(Benzyloxy)propyl]-5-hydroxy-14-methoxy-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one
SpectraBase Compound ID K4BxlWu5SyD
InChI InChI=1S/C26H32O5/c1-29-24-16-8-13-21-12-6-3-7-14-22(27)18-23(31-26(28)25(21)24)15-9-17-30-19-20-10-4-2-5-11-20/h2,4-6,8,10-13,16,22-23,27H,3,7,9,14-15,17-19H2,1H3/b12-6-/t22-,23+/m1/s1
InChIKey GFMDCPQTVIMBSP-NFXQYFCOSA-N
Mol Weight 424.5 g/mol
Molecular Formula C26H32O5
Exact Mass 424.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BerNpwccBQQ
Name (3S,5R)-3-[3-(Benzyloxy)propyl]-5-hydroxy-14-methoxy-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O5
InChI InChI=1S/C26H32O5/c1-29-24-16-8-13-21-12-6-3-7-14-22(27)18-23(31-26(28)25(21)24)15-9-17-30-19-20-10-4-2-5-11-20/h2,4-6,8,10-13,16,22-23,27H,3,7,9,14-15,17-19H2,1H3/b12-6-/t22-,23+/m1/s1
InChIKey GFMDCPQTVIMBSP-NFXQYFCOSA-N
Molecular Weight 424.537 g/mol
SMILES O[C@]1(C[C@@](OC(c2c(\C=C/CCC1)cccc2OC)=O)(CCCOCc1ccccc1)[H])[H]
SPLASH splash10-00my-3293100000-09bcd131195e10f1a82a
Source of Spectrum CV-2003-951-47
Wiley ID 1610970