| Properties | Image |
|---|
| MNX_ID | MNXM33890 |
 |
| reference | lipidmapsM:LMST03020321 |
| formula | C28H44O3 |
| global charge | 0 |
| mol weight | 428.657 |
| InChIKey | XIAQXUNMTDSTCO-JJWMBMNSSA-N |
| InChI | InChI=1S/C28H44O3/c1-6-28-16-8-10-21(11-12-22-17-23(29)18-26(30)20(22)3)25(28)14-13-24(28)19(2)9-7-15-27(4,5)31/h6,11-12,19,23-26,29-31H,1,3,7-10,13-18H2,2,4-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1 |
| SMILES | C=C[C@]12CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O |
MNX internals
| InChI (mnx) | InChI=1/C28H44O3/c1-6-28-16-8-10-21(11-12-22-17-23(29)18-26(30)20(22)3)25(28)14-13-24(28)19(2)9-7-15-27(4,5)31/h6,11-12,19,23-26,29-31H,1,3,7-10,13-18H2,2,4-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:6][C@:28]12[CH2:16][CH2:8][CH2:10]/[C:21](=[CH:11]\[CH:12]=[C:22]3\[CH2:17][C@@H:23]([OH:29])[CH2:18][C@H:26]([OH:30])[C:20]3=[CH2:3])[C@@H:25]1[CH2:14][CH2:13][C@@H:24]2[C@H:19]([CH3:2])[CH2:9][CH2:7][CH2:15][C:27]([CH3:4])([CH3:5])[OH:31] |
|