| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM103450 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C27H36Br2O4 |
| charge | 0 |
| mass | 582.09803 |
| reference | chebi:65560 |
| InChIKey | JTJHSEFMUWUYLU-KXSKSBKOSA-N |
| InChI | InChI=1S/C27H36Br2O4/c1-25(2)21(27(4,32)12-10-22(25)28)9-11-26(3)19-14-18-13-16(24(30)31)5-7-20(18)33-15-17(19)6-8-23(26)29/h5,7,13,15,19,21-23,32H,6,8-12,14H2,1-4H3,(H,30,31)/t19-,21+,22+,23+,26+,27+/m1/s1 |
| SMILES | CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 |
|
