| Properties | Image |
|---|
| MNX_ID | MNXM34001 |
 |
| reference | lipidmapsM:LMST03020241 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | SMHOCVXBTUJVBK-FBXCIANDSA-N |
| InChI | InChI=1S/C27H44O2/c1-19(9-7-17-26(3,4)29)23-15-16-24-22(11-8-18-27(23,24)5)14-13-21-10-6-12-25(28)20(21)2/h13-14,19,23-25,28-29H,2,6-12,15-18H2,1,3-5H3/b21-13-,22-14+/t19-,23-,24+,25+,27-/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)CCC[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-19(9-7-17-26(3,4)29)23-15-16-24-22(11-8-18-27(23,24)5)14-13-21-10-6-12-25(28)20(21)2/h13-14,19,23-25,28-29H,2,6-12,15-18H2,1,3-5H3/b21-13-,22-14+/t19-,23-,24+,25+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]([CH2:9][CH2:7][CH2:17][C:26]([CH3:3])([CH3:4])[OH:29])[C@H:23]1[CH2:15][CH2:16][C@H:24]2/[C:22](=[CH:14]/[CH:13]=[C:21]3/[CH2:10][CH2:6][CH2:12][C@H:25]([OH:28])[C:20]3=[CH2:2])[CH2:11][CH2:8][CH2:18][C@:27]12[CH3:5] |
|