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(3aR,8aR,9aR)-3-[(homoveratrylamino)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[(homoveratrylamino)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID JwNb1yc1OEh
InChI InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12,18-20,23,26H,1,5-6,9-11,13-15H2,2-4H3/t18-,19?,20?,23-,25-/m1/s1
InChIKey VYLLNFJEMQLLQV-UKKDBOLMSA-N
Mol Weight 413.6 g/mol
Molecular Formula C25H35NO4
Exact Mass 413.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BpPCeUS01K
Name (3aR,8aR,9aR)-3-[(homoveratrylamino)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO4
InChI InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12,18-20,23,26H,1,5-6,9-11,13-15H2,2-4H3/t18-,19?,20?,23-,25-/m1/s1
InChIKey VYLLNFJEMQLLQV-UKKDBOLMSA-N
Molecular Weight 413.558 g/mol
SMILES N(CC1C(O[C@@]2(C[C@]3(CCCC(C3C[C@]12[H])=C)C)[H])=O)CCc1cc(OC)c(cc1)OC
SPLASH splash10-0ik9-7940000000-f9b8dc446d3bef7d0513
Synonyms (3aR,8aR,9aR)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Wiley ID 1436363