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

SpectraBase Compound ID	DimXiciuV4y
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/h4,6,12-13,16-18,21H,3,5,7-11,14-15H2,1-2H3/t16-,17+,18?,21+,24+/m0/s1
InChIKey	MQSZZIBOTGMDJA-WAKXFIDASA-N Google Search
Mol Weight	412.5 g/mol
Molecular Formula	C24H32N2O4
Exact Mass	412.236208 g/mol

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SpectraBase Spectrum ID	DW4qeldbJrN
Name	(3aR,5S,8aR,9aR)-3-[[4-(2-furoyl)piperazino]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	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/h4,6,12-13,16-18,21H,3,5,7-11,14-15H2,1-2H3/t16-,17+,18?,21+,24+/m0/s1
InChIKey	MQSZZIBOTGMDJA-WAKXFIDASA-N
Molecular Weight	412.530 g/mol
SMILES	C1(C(O[C@]2([C@@]1(C=C1[C@](CCC[C@@]1(C2)C)(C)[H])[H])[H])=O)CN1CCN(C(c2occc2)=O)CC1
SPLASH	splash10-0007-8920000000-40fbb4aa581cd99537ee
Synonyms	(3aR,5S,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Wiley ID	1436414