For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4aR,5aS,9R,10aS,11R,11aR,3'R)11-(p-Bromobenzoyloxy)-9-[(E)-3',4'-di(p-bromobenzoyloxy)-1'-butenyl]-4,4a,5a,6,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin
SpectraBase Compound ID AKUttsFTOHn
InChI InChI=1S/C38H35Br3O10/c1-38(2)46-21-31-33(51-38)34(50-37(44)24-10-16-27(41)17-11-24)32-30(49-31)5-3-4-28(47-32)18-19-29(48-36(43)23-8-14-26(40)15-9-23)20-45-35(42)22-6-12-25(39)13-7-22/h3-4,6-19,28-34H,5,20-21H2,1-2H3/b19-18+/t28-,29-,30+,31-,32+,33-,34-/m1/s1
InChIKey GFHQOYRFHDJDLL-IIGMTIJRSA-N
Mol Weight 891.4 g/mol
Molecular Formula C38H35Br3O10
Exact Mass 887.978036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1TNyUnFoSO
Name (4aR,5aS,9R,10aS,11R,11aR,3'R)11-(p-Bromobenzoyloxy)-9-[(E)-3',4'-di(p-bromobenzoyloxy)-1'-butenyl]-4,4a,5a,6,9,10a,11,11a-decahydrooxepino[2',3':5,6]pyrano[3,2-d]-1.3-dioxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H35Br3O10
InChI InChI=1S/C38H35Br3O10/c1-38(2)46-21-31-33(51-38)34(50-37(44)24-10-16-27(41)17-11-24)32-30(49-31)5-3-4-28(47-32)18-19-29(48-36(43)23-8-14-26(40)15-9-23)20-45-35(42)22-6-12-25(39)13-7-22/h3-4,6-19,28-34H,5,20-21H2,1-2H3/b19-18+/t28-,29-,30+,31-,32+,33-,34-/m1/s1
InChIKey GFHQOYRFHDJDLL-IIGMTIJRSA-N
Molecular Weight 891.400 g/mol
SMILES [C@]1([C@]2([C@](COC(O2)(C)C)([H])O[C@@]2([C@@]1(O[C@@](\C=C\[C@@](OC(c1ccc(cc1)Br)=O)(COC(c1ccc(cc1)Br)=O)[H])(C=CC2)[H])[H])[H])[H])(OC(c1ccc(cc1)Br)=O)[H]
SPLASH splash10-001r-0900000000-bca0652d4b98c00e0fc1
Source of Spectrum F-53-3069-(2R,5R)-11
Wiley ID 800784