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Methyl 13-bromo-12-methoxy-7-oxo-7a-oxa-7-homopodocarpa-8,11,13-trien-19-oate
SpectraBase Compound ID Fen8US8AaiE
InChI InChI=1S/C19H23BrO5/c1-18-6-5-7-19(2,17(22)24-4)15(18)10-16(21)25-13-9-12(20)14(23-3)8-11(13)18/h8-9,15H,5-7,10H2,1-4H3/t15?,18-,19+/m1/s1
InChIKey RXNRGZLNGBLUTO-FWZRCDJUSA-N
Mol Weight 411.29 g/mol
Molecular Formula C19H23BrO5
Exact Mass 410.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rp6xJF0tet
Name Methyl 13-bromo-12-methoxy-7-oxo-7a-oxa-7-homopodocarpa-8,11,13-trien-19-oate
Alternate Name(s) Methyl (8S,11aS)-3-bromo-2-methoxy-8,11a-dimethyl-6-oxo-6,7,7a,8,9,10,11,11a-octahydrodibenzo[b,d]oxepin-8-carboxylate
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Formula C19H23BrO5
InChI InChI=1S/C19H23BrO5/c1-18-6-5-7-19(2,17(22)24-4)15(18)10-16(21)25-13-9-12(20)14(23-3)8-11(13)18/h8-9,15H,5-7,10H2,1-4H3/t15?,18-,19+/m1/s1
InChIKey RXNRGZLNGBLUTO-FWZRCDJUSA-N
Molecular Weight 411.292 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CC(=O)Oc2c1cc(c(Br)c2)OC)C
SPLASH splash10-001i-0179300000-4bc992024a97f094d0b8
Source of Spectrum B-51-1171-10
Wiley ID 746034