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(3aR,5S,8aR,9aR)-3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,5S,8aR,9aR)-3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 21b3Av9AmpJ
InChI InChI=1S/C24H33NO4/c1-15-6-5-9-24(2)12-22-17(11-19(15)24)18(23(26)29-22)14-25-13-16-7-8-20(27-3)21(10-16)28-4/h7-8,10-11,15,17-18,22,25H,5-6,9,12-14H2,1-4H3/t15-,17+,18?,22+,24+/m0/s1
InChIKey MBXTZFOKNHDGBZ-SXQJNQOESA-N
Mol Weight 399.5 g/mol
Molecular Formula C24H33NO4
Exact Mass 399.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1iLrM3Uo88
Name (3aR,5S,8aR,9aR)-3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO4
InChI InChI=1S/C24H33NO4/c1-15-6-5-9-24(2)12-22-17(11-19(15)24)18(23(26)29-22)14-25-13-16-7-8-20(27-3)21(10-16)28-4/h7-8,10-11,15,17-18,22,25H,5-6,9,12-14H2,1-4H3/t15-,17+,18?,22+,24+/m0/s1
InChIKey MBXTZFOKNHDGBZ-SXQJNQOESA-N
Molecular Weight 399.531 g/mol
SMILES N(CC1[C@]2(C=C3[C@](CCC[C@@]3(C[C@]2(OC1=O)[H])C)(C)[H])[H])Cc1cc(OC)c(cc1)OC
SPLASH splash10-0gb9-0900000000-ed03b9e645516f650baa
Synonyms (3aR,5S,8aR,9aR)-3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-[(veratrylamino)methyl]-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Wiley ID 1444324