| Properties | Image |
|---|
| MNX_ID | MNXM30424 |
 |
| reference | chebi:63700 |
| formula | C22H38O5 |
| global charge | 0 |
| mol weight | 382.541 |
| InChIKey | OJLOPKGSLYJEMD-MGUNLYMFSA-N |
| InChI | InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22-/m0/s1 |
| SMILES | CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](CCCCCCC(=O)OC)C(=O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:14][C@@:22]([CH3:2])([CH2:15]/[CH:10]=[CH:12]/[C@H:18]1[C@H:17]([CH2:11][CH2:8][CH2:6][CH2:7][CH2:9][CH2:13][C:21](=[O:25])[O:27][CH3:3])[C:19](=[O:23])[CH2:16][C@@H:20]1[OH:24])[OH:26] |
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