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

SpectraBase Compound ID	6q7hg0mgUhY
InChI	InChI=1S/C31H45NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27,32H,1,6-7,12-20H2,2-5H3/t24-,25?,26?,27-,30-,31?/m1/s1
InChIKey	RFDKIHZDUCQJAN-SZRIOQLWSA-N Google Search
Mol Weight	495.7 g/mol
Molecular Formula	C31H45NO4
Exact Mass	495.334859 g/mol

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SpectraBase Spectrum ID	8xbLKLK3GOX
Name	(3aR,8aR,9aR)-3-[[2-[4-(4-methoxyphenyl)-2,2-dimethyl-4-oxanyl]ethylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H45NO4
InChI	InChI=1S/C31H45NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-27,32H,1,6-7,12-20H2,2-5H3/t24-,25?,26?,27-,30-,31?/m1/s1
InChIKey	RFDKIHZDUCQJAN-SZRIOQLWSA-N
Molecular Weight	495.704 g/mol
SMILES	N(CC1C(O[C@@]2(C[C@]3(CCCC(C3C[C@]12[H])=C)C)[H])=O)CCC1(c2ccc(cc2)OC)CC(C)(C)OCC1
SPLASH	splash10-03di-4920000000-47f5ab8a6d494aff0720
Synonyms	(3aR,8aR,9aR)-3-[[2-[4-(4-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethylamino]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-[[2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]ethylamino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Wiley ID	1436372