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(3S,3aS,4S,5S,7S,7aS)-7-iodanyl-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3S,3aS,4S,5S,7S,7aS)-7-iodanyl-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
SpectraBase Compound ID ASA90HDs7be
InChI InChI=1S/C25H29IO6/c1-15-22-23(32-25(15)27)20(26)12-21(30-13-16-4-8-18(28-2)9-5-16)24(22)31-14-17-6-10-19(29-3)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3/t15-,20-,21-,22+,23+,24+/m0/s1
InChIKey GMTLIBZWFZZGGO-SHDHBZKCSA-N
Mol Weight 552.41 g/mol
Molecular Formula C25H29IO6
Exact Mass 552.100884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bw5kCNdMBOF
Name (3S,3aS,4S,5S,7S,7aS)-7-iodanyl-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29IO6
InChI InChI=1S/C25H29IO6/c1-15-22-23(32-25(15)27)20(26)12-21(30-13-16-4-8-18(28-2)9-5-16)24(22)31-14-17-6-10-19(29-3)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3/t15-,20-,21-,22+,23+,24+/m0/s1
InChIKey GMTLIBZWFZZGGO-SHDHBZKCSA-N
Molecular Weight 552.405 g/mol
SMILES [C@]12([C@](OC([C@]2(C)[H])=O)([C@@](I)(C[C@@]([C@]1(OCc1ccc(cc1)OC)[H])(OCc1ccc(cc1)OC)[H])[H])[H])[H]
SPLASH splash10-001i-0000900000-cc2c060b63919251ed3c
Source of Spectrum F-55-2215-22
Synonyms (3S,3aS,4S,5S,7S,7aS)-7-iodo-3-methyl-4,5-bis(p-anisyloxy)-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one (3S,3aS,4S,5S,7S,7aS)-7-iodo-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one (3S,3aS,4S,5S,7S,7aS)-7-iodo-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one
Wiley ID 837003