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

SpectraBase Compound ID	251JYPmCx0q
InChI	InChI=1S/C25H36N2O6/c1-23-7-5-8-24(2,31-3)25(23,30)14-17-18(22(29)33-20(17)15-23)16-26-9-11-27(12-10-26)21(28)19-6-4-13-32-19/h4,6,13,17-18,20,30H,5,7-12,14-16H2,1-3H3/t17-,18?,20-,23-,24-,25?/m1/s1
InChIKey	CBIBKNBSAQKIMT-UGVQKNLPSA-N Google Search
Mol Weight	460.6 g/mol
Molecular Formula	C25H36N2O6
Exact Mass	460.257337 g/mol

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SpectraBase Spectrum ID	EVgGnS5HMAt
Name	(3aR,5R,8aR,9aR)-3-[[4-(2-furoyl)piperazino]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Alternate Name(s)	(3aR,5R,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-5-methoxy-5,8a-dimethyl-4a-oxidanyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H36N2O6
InChI	InChI=1S/C25H36N2O6/c1-23-7-5-8-24(2,31-3)25(23,30)14-17-18(22(29)33-20(17)15-23)16-26-9-11-27(12-10-26)21(28)19-6-4-13-32-19/h4,6,13,17-18,20,30H,5,7-12,14-16H2,1-3H3/t17-,18?,20-,23-,24-,25?/m1/s1
InChIKey	CBIBKNBSAQKIMT-UGVQKNLPSA-N
Molecular Weight	460.571 g/mol
SMILES	OC12C[C@@]3(C(C(O[C@@]3(C[C@]1(CCC[C@]2(OC)C)C)[H])=O)CN1CCN(C(c2occc2)=O)CC1)[H]
SPLASH	splash10-000f-3916100000-2ed535bbd76f1b75a8d0
Wiley ID	1444870