| SpectraBase Spectrum ID |
2cPeh9sYAC |
| Name |
Benzoic acid, 4-bromo-, 1,7,8-trimethyl-17-methylene-16-oxo-15-oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-2-yl ester, [1R-(1R*,2S*,4R*,7S*,8R*)]- |
| Alternate Name(s) |
15-Oxatricyclo[9.3.2.1(4,8)]heptadecane, benzoic acid deriv.
Benzoic acid, 4-bromo-, 7,8,14-trimethyl-17-methylene-16-oxo-15-oxatricyclo[9.3.2.1(4.8)]heptadec-11-en-2-yl ester, [1R-(1R*,2S*,4R*,7S*,8R*)]- |
| CAS Registry Number |
72190-23-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33BrO4 |
| InChI |
InChI=1S/C27H33BrO4/c1-17-7-8-21-16-23(31-24(29)20-9-11-22(28)12-10-20)27(4)14-5-6-19(25(30)32-27)13-15-26(17,3)18(21)2/h6,9-12,17,21,23H,2,5,7-8,13-16H2,1,3-4H3/t17?,21?,23?,26?,27-/m1/s1 |
| InChIKey |
BOTUDGQWQNSXEU-WOLOKOBCSA-N |
| Molecular Weight |
501.461 g/mol |
| SMILES |
CC1CCC2CC([C@@]3(C)CCC=C(CCC1(C)C2=C)C(=O)O3)OC(c1ccc(cc1)Br)=O |
| SPLASH |
splash10-0fer-0910010000-1acafee5646f9ba27d3c |
| Source of Spectrum |
C-101-4723-0 |
| Wiley ID |
1398863 |
![Benzoic acid, 4-bromo-, 1,7,8-trimethyl-17-methylene-16-oxo-15-oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-2-yl ester, [1R-(1R*,2S*,4R*,7S*,8R*)]-](/api/spectrum/2cPeh9sYAC/structure.png?h=300&w=458 "Benzoic acid, 4-bromo-, 1,7,8-trimethyl-17-methylene-16-oxo-15-oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-2-yl ester, [1R-(1R*,2S*,4R*,7S*,8R*)]-")
