| Properties | Image |
|---|
| MNX_ID | MNXM35820 |
 |
| reference | lipidmapsM:LMST03020540 |
| formula | C28H46O3 |
| global charge | 0 |
| mol weight | 430.673 |
| InChIKey | PSWKLSOBPNHZSY-GEMNOXHFSA-N |
| InChI | InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:9][CH2:7][CH2:15][C:27]([CH3:4])([CH3:5])[OH:31])[C@H:23]1[CH2:13][CH2:14][C@H:24]2/[C:21](=[CH:11]/[CH:12]=[C:22]3/[CH2:17][C@@H:25]([OH:29])[C@H:20]([CH3:3])[C@H:26]([OH:30])[C:19]3=[CH2:2])[CH2:10][CH2:8][CH2:16][C@:28]12[CH3:6] |
|