| SpectraBase Spectrum ID |
BqKbxlJSsGp |
| Name |
3-(m-Bromobenzoyloxy)-7-[4-Methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(hydroxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane-2-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H49BrO6 |
| InChI |
InChI=1S/C36H49BrO6/c1-22(12-13-24-19-28(41-7)17-23(2)32(24)42-8)16-27(38)20-35(5)21-29-31(39)30(14-15-36(35,6)34(29,3)4)43-33(40)25-10-9-11-26(37)18-25/h9-12,17-19,27,29-31,38-39H,13-16,20-21H2,1-8H3/b22-12+/t27-,29+,30-,31+,35-,36-/m1/s1 |
| InChIKey |
PAYINYYMZJXJAK-SPOSGEOOSA-N |
| Molecular Weight |
657.686 g/mol |
| SMILES |
O[C@]1([C@]2(C([C@]([C@](C[C@@](C\C(=C\Cc3c(c(C)cc(c3)OC)OC)C)(O)[H])(C2)C)(CC[C@]1(OC(c1cc(Br)ccc1)=O)[H])C)(C)C)[H])[H] |
| SPLASH |
splash10-00di-0090000000-75c996baaf9ddd2b0224 |
| Source of Spectrum |
J-60-3331-60 |
| Synonyms |
3-Bromo-benzoic acid (2S,3R,7S)-7-[(E)-(R)-6-(2,5-dimethoxy-3-methyl-phenyl)-2-hydroxy-4-methyl-hex-4-enyl]-2-hydroxy-6,7,9,9-tetramethyl-bicyclo[4.2.1]non-3-yl ester
7-[(4E)-6-(2,5-dimethoxy-3-methylphenyl)-2-hydroxy-4-methyl-4-hexenyl]-2-hydroxy-6,7,9,9-tetramethylbicyclo[4.2.1]non-3-yl 3-bromobenzoate |
| Wiley ID |
1413373 |
![3-(m-Bromobenzoyloxy)-7-[4-Methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(hydroxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane-2-ol](/api/spectrum/BqKbxlJSsGp/structure.png?h=300&w=458 "3-(m-Bromobenzoyloxy)-7-[4-Methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(hydroxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane-2-ol")
