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(3aS,4aR,8aS,9R,9aR)-9-iodanyl-5-[(4-methoxyphenyl)methoxymethyl]-3,8a-dimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aS,4aR,8aS,9R,9aR)-9-iodanyl-5-[(4-methoxyphenyl)methoxymethyl]-3,8a-dimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
SpectraBase Compound ID 6CXrYzwb48f
InChI InChI=1S/C23H27IO4/c1-14-18-11-19-16(13-27-12-15-6-8-17(26-3)9-7-15)5-4-10-23(19,2)21(24)20(18)28-22(14)25/h4-10,14,18-21H,11-13H2,1-3H3/t14?,18-,19+,20+,21-,23-/m0/s1
InChIKey YIQZPMXLZVGIJO-ZBHZFJKNSA-N
Mol Weight 494.37 g/mol
Molecular Formula C23H27IO4
Exact Mass 494.095404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICAubPfcM2e
Name (3aS,4aR,8aS,9R,9aR)-9-iodanyl-5-[(4-methoxyphenyl)methoxymethyl]-3,8a-dimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
Alternate Name(s) (3aS,4aR,8aS,9R,9aR)-9-iodo-3,8a-dimethyl-5-(p-anisyloxymethyl)-3,3a,4,4a,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aS,4aR,8aS,9R,9aR)-9-iodo-5-[(4-methoxyphenyl)methoxymethyl]-3,8a-dimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aS,4aR,8aS,9R,9aR)-9-iodo-5-[(4-methoxyphenyl)methoxymethyl]-3,8a-dimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
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Formula C23H27IO4
InChI InChI=1S/C23H27IO4/c1-14-18-11-19-16(13-27-12-15-6-8-17(26-3)9-7-15)5-4-10-23(19,2)21(24)20(18)28-22(14)25/h4-10,14,18-21H,11-13H2,1-3H3/t14?,18-,19+,20+,21-,23-/m0/s1
InChIKey YIQZPMXLZVGIJO-ZBHZFJKNSA-N
Molecular Weight 494.369 g/mol
SMILES [C@@]12(OC(=O)C([C@@]2(C[C@]2([C@@]([C@]1(I)[H])(C=CC=C2COCc1ccc(cc1)OC)C)[H])[H])C)[H]
SPLASH splash10-00dl-8900000000-1e39ec3cc9a8383cb736
Source of Spectrum C-88-1077-21
Wiley ID 1590244