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(2S,3S,3aS)-ethyl 6-bromo-7-methoxy-2-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-cyclopenta[de]chromene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(2S,3S,3aS)-ethyl 6-bromo-7-methoxy-2-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-cyclopenta[de]chromene-3-carboxylate
SpectraBase Compound ID 8ilagUHj8S0
InChI InChI=1S/C22H23BrO5/c1-4-27-22(24)19-14-9-10-15-18(14)16(11-17(26-3)20(15)23)28-21(19)12-5-7-13(25-2)8-6-12/h5-8,11,14,19,21H,4,9-10H2,1-3H3/t14-,19+,21-/m1/s1
InChIKey XQPPUMZOGNYBJY-XWRIVVANSA-N
Mol Weight 447.33 g/mol
Molecular Formula C22H23BrO5
Exact Mass 446.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20iHUtbpig0
Name (2S,3S,3aS)-ethyl 6-bromo-7-methoxy-2-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-cyclopenta[de]chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23BrO5
InChI InChI=1S/C22H23BrO5/c1-4-27-22(24)19-14-9-10-15-18(14)16(11-17(26-3)20(15)23)28-21(19)12-5-7-13(25-2)8-6-12/h5-8,11,14,19,21H,4,9-10H2,1-3H3/t14-,19+,21-/m1/s1
InChIKey XQPPUMZOGNYBJY-XWRIVVANSA-N
Molecular Weight 447.325 g/mol
SMILES c1(Br)c2c3[C@]([C@@]([C@](Oc3cc1OC)(c1ccc(cc1)OC)[H])(C(OCC)=O)[H])(CC2)[H]
SPLASH splash10-06r2-0960100000-adedc275a70618b4fb11
Source of Spectrum CAJ-10-1061-28
Synonyms Ethyl (2S,3S,3aS)-6-bromo-7-methoxy-2-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-cyclopenta[de]chromene-3-carboxylate
Wiley ID 1787176