| Properties | Image |
|---|
| MNX_ID | MNXM36427 |
 |
| reference | lipidmapsM:LMST03010057 |
| formula | C28H46O |
| global charge | 0 |
| mol weight | 398.675 |
| InChIKey | ILYCWAKSDCYMBB-GNSBYEHMSA-N |
| InChI | InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25+,26+,27-,28+/m0/s1 |
| SMILES | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@H](O)CC[C@@H]3C)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25+,26+,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C@@H:20]([CH3:3])/[CH:9]=[CH:10]/[C@@H:22]([CH3:5])[C@H:26]1[CH2:15][CH2:16][C@H:27]2/[C:23](=[CH:12]/[CH:13]=[C:24]3\[CH2:18][C@H:25]([OH:29])[CH2:14][CH2:11][C@@H:21]3[CH3:4])[CH2:8][CH2:7][CH2:17][C@:28]12[CH3:6] |
|