| Properties | Image |
|---|
| MNX_ID | MNXM31314 |
 |
| reference | lipidmapsM:LMST03020139 |
| formula | C27H42F2O2 |
| global charge | 0 |
| mol weight | 436.627 |
| InChIKey | QVGZNWYNOVNFGG-DXRVIWARSA-N |
| InChI | InChI=1S/C27H42F2O2/c1-17(2)8-6-9-18(3)21-13-14-23-20(10-7-15-26(21,23)5)11-12-22-19(4)24(30)16-25(31)27(22,28)29/h11-12,17-18,21,23-25,30-31H,4,6-10,13-16H2,1-3,5H3/b20-11+,22-12-/t18-,21-,23+,24+,25+,26-/m1/s1 |
| SMILES | C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C(F)(F)[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H42F2O2/c1-17(2)8-6-9-18(3)21-13-14-23-20(10-7-15-26(21,23)5)11-12-22-19(4)24(30)16-25(31)27(22,28)29/h11-12,17-18,21,23-25,30-31H,4,6-10,13-16H2,1-3,5H3/b20-11+,22-12-/t18-,21-,23+,24+,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:18]([CH3:3])[C@H:21]1[CH2:13][CH2:14][C@H:23]2/[C:20](=[CH:11]/[CH:12]=[C:22]3/[C:19](=[CH2:4])[C@@H:24]([OH:30])[CH2:16][C@H:25]([OH:31])[C:27]3([F:28])[F:29])[CH2:10][CH2:7][CH2:15][C@:26]12[CH3:5] |
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