(4aS,6S,9aR,3'R)-6-[(E)-3',4'-Bis(p-bromobenzoyloxy)-1'-butenyl]-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin

SpectraBase Compound ID	4bwq5q53Qy
InChI	InChI=1S/C27H26Br2O6/c28-20-10-6-18(7-11-20)26(30)33-17-23(35-27(31)19-8-12-21(29)13-9-19)15-14-22-3-1-4-24-25(34-22)5-2-16-32-24/h1,3,6-15,22-25H,2,4-5,16-17H2/b15-14+/t22-,23+,24+,25-/m0/s1
InChIKey	GGIVDJWFGHHFKF-PUAGNCNWSA-N Google Search
Mol Weight	606.31 g/mol
Molecular Formula	C27H26Br2O6
Exact Mass	604.009615 g/mol

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SpectraBase Spectrum ID	BmhVkXgp3ma
Name	(4aS,6S,9aR,3'R)-6-[(E)-3',4'-Bis(p-bromobenzoyloxy)-1'-butenyl]-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin
Alternate Name(s)	4-Bromobenzoic acid [(E,2R)-4-[(4aS,6S,9aR)-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-6-yl]-2-[(4-bromophenyl)-oxomethoxy]but-3-enyl] ester [(E,2R)-4-[(4aS,6S,9aR)-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-6-yl]-2-(4-bromobenzoyl)oxybut-3-enyl] 4-bromobenzoate [(E,2R)-4-[(4aS,6S,9aR)-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-6-yl]-2-(4-bromobenzoyl)oxy-but-3-enyl] 4-bromobenzoate [(E,2R)-4-[(4aS,6S,9aR)-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-6-yl]-2-(4-bromophenyl)carbonyloxy-but-3-enyl] 4-bromanylbenzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H26Br2O6
InChI	InChI=1S/C27H26Br2O6/c28-20-10-6-18(7-11-20)26(30)33-17-23(35-27(31)19-8-12-21(29)13-9-19)15-14-22-3-1-4-24-25(34-22)5-2-16-32-24/h1,3,6-15,22-25H,2,4-5,16-17H2/b15-14+/t22-,23+,24+,25-/m0/s1
InChIKey	GGIVDJWFGHHFKF-PUAGNCNWSA-N
Molecular Weight	606.307 g/mol
SMILES	C(O[C@](\C=C\[C@]1(O[C@@]2([C@@](OCCC2)([H])CC=C1)[H])[H])(COC(c1ccc(cc1)Br)=O)[H])(c1ccc(cc1)Br)=O
SPLASH	splash10-00ei-5900000000-75583f9a5f97aab80d66
Source of Spectrum	F-53-3063-7
Wiley ID	800789