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2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
SpectraBase Compound ID 18RHEzSUXtn
InChI InChI=1S/C27H36N2O5/c1-17-4-3-7-26(2)13-22-23(24-27(17,26)34-24)19(25(30)33-22)15-29-10-8-28(9-11-29)14-18-5-6-20-21(12-18)32-16-31-20/h5-6,12,17,19,22-24H,3-4,7-11,13-16H2,1-2H3
InChIKey CBFIGQHHGJBHAY-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C27H36N2O5
Exact Mass 468.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JWnHKsZfth
Name 2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
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Formula C27H36N2O5
InChI InChI=1S/C27H36N2O5/c1-17-4-3-7-26(2)13-22-23(24-27(17,26)34-24)19(25(30)33-22)15-29-10-8-28(9-11-29)14-18-5-6-20-21(12-18)32-16-31-20/h5-6,12,17,19,22-24H,3-4,7-11,13-16H2,1-2H3
InChIKey CBFIGQHHGJBHAY-UHFFFAOYSA-N
Molecular Weight 468.594 g/mol
SMILES C123C(C4C(C(=O)OC4CC3(CCCC1C)C)CN1CCN(CC1)Cc1cc3OCOc3cc1)O2
SPLASH splash10-01p9-2920000000-aaa30d89095cbb3615a3
Synonyms 9-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one
Wiley ID 1444437