| Properties | Image |
|---|
| MNX_ID | MNXM103447 |
 |
| reference | chebi:65557 |
| formula | C27H35BrO3 |
| global charge | 0 |
| mol weight | 487.478 |
| InChIKey | UWOQPCLHJDMFFV-FXSXARLRSA-N |
| InChI | InChI=1S/C27H35BrO3/c1-18(2)7-5-8-19(3)9-6-14-27(4)23-16-22-15-20(26(29)30)10-12-24(22)31-17-21(23)11-13-25(27)28/h7,9-12,15,23,25H,5-6,8,13-14,16-17H2,1-4H3,(H,29,30)/b19-9+/t23-,25+,27+/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC[C@@]1(C)[C@@H]2CC3=C(C=CC(C(=O)O)=C3)OCC2=CC[C@@H]1Br |
MNX internals
| InChI (mnx) | InChI=1/C27H35BrO3/c1-18(2)7-5-8-19(3)9-6-14-27(4)23-16-22-15-20(26(29)30)10-12-24(22)31-17-21(23)11-13-25(27)28/h7,9-12,15,23,25H,5-6,8,13-14,16-17H2,1-4H3,(H,29,30)/b19-9+/t23-,25+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]([CH3:2])=[CH:7][CH2:5][CH2:8]/[C:19]([CH3:3])=[CH:9]/[CH2:6][CH2:14][C@@:27]1([CH3:4])[C@@H:23]2[CH2:16][C:22]3=[C:24]([CH:12]=[CH:10][C:20]([C:26](=[O:29])[OH:30])=[CH:15]3)[O:31][CH2:17][C:21]2=[CH:11][CH2:13][C@@H:25]1[Br:28] |
|