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(-)-Roehybrine
SpectraBase Compound ID EeUo8ZYfnXl
InChI InChI=1S/C19H25NO4/c1-10-6-12-16-11(10)7-19(5-4-13(21)14(8-19)23-2)18(22)17(16)15(24-3)9-20-12/h9-11,14,20,22H,4-8H2,1-3H3
InChIKey LPMIUKMLJRRUMG-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cqEXngeetE
Name (-)-Roehybrine
CAS Registry Number 52705-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-10-6-12-16-11(10)7-19(5-4-13(21)14(8-19)23-2)18(22)17(16)15(24-3)9-20-12/h9-11,14,20,22H,4-8H2,1-3H3
InChIKey LPMIUKMLJRRUMG-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES N1C2=C3C(=C(C4(CC3C(C2)C)CC(C(CC4)=O)OC)O)C(=C1)OC
SPLASH splash10-001i-0049000000-99cfe6c760189c7206af
Source of Spectrum F-43-1769-10
Synonyms Roehybrine 7'-hydroxy-3,9'-dimethoxy-3'-methyl-11'-azaspiro[cyclohexane-1,6'-tricyclo[6.3.1.0(4,12)]dodecane]-1'(12'),7',9'-trien-4-one Rehybrine Spiro[cyclohexane-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-3,5'-dimethoxy-1'-methyl-, [7'R-[7'.alpha.(S*),8'a.alpha.]]-
Wiley ID 1328757