| Properties | Image |
|---|
| MNX_ID | MNXM163421 |
 |
| reference | biggM:CE7079 |
| formula | C20H27O3 |
| global charge | -1 |
| mol weight | 315.433 |
| InChIKey | UPGVTUHMXWZYBQ-PCKPGGNRSA-M |
| InChI | InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h3-4,6-7,9-13,15,18-19H,2,5,8,14,16-17H2,1H3,(H,21,22)/p-1/b4-3+,7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1 |
| SMILES | CC/C=C/C/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h3-4,6-7,9-13,15,18-19H,2,5,8,14,16-17H2,1H3,(H,21,22)/b4-3+,7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]/[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[CH:13]=[CH:15]\[C@H:18]1[C@H:19]([CH2:16][CH2:14][CH2:17][C:20](=[O:21])[OH:22])[O:23]1 |
|