| SpectraBase Spectrum ID |
BE4MhteCiD4 |
| Name |
(2S*,3R*,5aS*,13aR*,12aS*,5aR*,7Z,10S*,11R*)-10-[4-Bromobenzoyl)oxy]-2,11-divinyl-3-hydroxy-2,3,4,5,5a,6a,10,11,12a,13,13a-dodecahydro-1,6,12-trioxacyclohepta[4,5]benzo[1,2]cyclooctene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H29BrO6 |
| InChI |
InChI=1S/C25H29BrO6/c1-3-18-17(27)12-13-22-24(29-18)14-23-21(31-22)7-5-6-20(19(4-2)30-23)32-25(28)15-8-10-16(26)11-9-15/h3-5,7-11,17-24,27H,1-2,6,12-14H2/b7-5-/t17-,18+,19-,20+,21-,22+,23+,24-/m1/s1 |
| InChIKey |
LRVKDNRWJQAHMZ-VHUTZJCZSA-N |
| Molecular Weight |
505.405 g/mol |
| SMILES |
O[C@]1([C@@](O[C@@]2(C[C@@]3(O[C@@]([C@@](OC(c4ccc(cc4)Br)=O)(C\C=C/[C@]3(O[C@]2(CC1)[H])[H])[H])(C=C)[H])[H])[H])(C=C)[H])[H] |
| SPLASH |
splash10-052r-1900000000-aaa7c87c3545c32b9d3f |
| Source of Spectrum |
J-59-2876-136 |
| Wiley ID |
1386900 |
![(2S*,3R*,5aS*,13aR*,12aS*,5aR*,7Z,10S*,11R*)-10-[4-Bromobenzoyl)oxy]-2,11-divinyl-3-hydroxy-2,3,4,5,5a,6a,10,11,12a,13,13a-dodecahydro-1,6,12-trioxacyclohepta[4,5]benzo[1,2]cyclooctene](/api/spectrum/BE4MhteCiD4/structure.png?h=300&w=458 "(2S*,3R*,5aS*,13aR*,12aS*,5aR*,7Z,10S*,11R*)-10-[4-Bromobenzoyl)oxy]-2,11-divinyl-3-hydroxy-2,3,4,5,5a,6a,10,11,12a,13,13a-dodecahydro-1,6,12-trioxacyclohepta[4,5]benzo[1,2]cyclooctene")
