| 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 |
![(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](/api/spectrum/1TNyUnFoSO/structure.png?h=300&w=458 "(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")
