| Properties | Image |
|---|
| MNX_ID | MNXM100870 |
 |
| reference | chebi:70604 |
| formula | C27H46O4 |
| global charge | 0 |
| mol weight | 434.661 |
| InChIKey | TUSWWSUBXAJODB-WXVAWEFUSA-N |
| InChI | InChI=1S/C27H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)30-22-20-26(2,3)23-19-25(29)31-27(23,4)21-22/h19,22H,5-18,20-21H2,1-4H3/t22-,27+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)C2=CC(=O)O[C@]2(C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)30-22-20-26(2,3)23-19-25(29)31-27(23,4)21-22/h19,22H,5-18,20-21H2,1-4H3/t22-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:24](=[O:28])[O:30][C@H:22]1[CH2:20][C:26]([CH3:2])([CH3:3])[C:23]2=[CH:19][C:25](=[O:29])[O:31][C@:27]2([CH3:4])[CH2:21]1 |
|