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(3aR,8aR,9aR)-3-[[4-(2-furoyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID E3jATlgQ0Nf
InChI InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12,17-19,21H,1,3,5,7-11,13-15H2,2H3/t17-,18?,19?,21-,24-/m1/s1
InChIKey VOSKLAZEFVHLSS-HREAJGOWSA-N
Mol Weight 412.5 g/mol
Molecular Formula C24H32N2O4
Exact Mass 412.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHldA1q8cv2
Name (3aR,8aR,9aR)-3-[[4-(2-furoyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Alternate Name(s) (3aR,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
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Formula C24H32N2O4
InChI InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12,17-19,21H,1,3,5,7-11,13-15H2,2H3/t17-,18?,19?,21-,24-/m1/s1
InChIKey VOSKLAZEFVHLSS-HREAJGOWSA-N
Molecular Weight 412.530 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(C(c2occc2)=O)CC1
SPLASH splash10-000e-9520000000-74623c41b0bc694eb935
Wiley ID 1436365