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(3S,4S)-4-Hydroxy-14-methoxy-3-{[(4-methoxybenzyl)oxy]methyl}-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one
SpectraBase Compound ID HAcIRTCaSoP
InChI InChI=1S/C25H30O6/c1-28-20-14-12-18(13-15-20)16-30-17-23-21(26)10-6-4-3-5-8-19-9-7-11-22(29-2)24(19)25(27)31-23/h5,7-9,11-15,21,23,26H,3-4,6,10,16-17H2,1-2H3/b8-5-/t21-,23-/m0/s1
InChIKey VZWIFZRCEWMJOZ-GQMLDMESSA-N
Mol Weight 426.51 g/mol
Molecular Formula C25H30O6
Exact Mass 426.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6l1GPGRn2H1
Name (3S,4S)-4-Hydroxy-14-methoxy-3-{[(4-methoxybenzyl)oxy]methyl}-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one
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Formula C25H30O6
InChI InChI=1S/C25H30O6/c1-28-20-14-12-18(13-15-20)16-30-17-23-21(26)10-6-4-3-5-8-19-9-7-11-22(29-2)24(19)25(27)31-23/h5,7-9,11-15,21,23,26H,3-4,6,10,16-17H2,1-2H3/b8-5-/t21-,23-/m0/s1
InChIKey VZWIFZRCEWMJOZ-GQMLDMESSA-N
Molecular Weight 426.509 g/mol
SMILES O[C@@]1([C@@](OC(c2c(\C=C/CCCC1)cccc2OC)=O)(COCc1ccc(cc1)OC)[H])[H]
SPLASH splash10-00di-3900000000-fd7c7d4f3db0d7147362
Source of Spectrum CV-2003-948-19
Wiley ID 1610982