| Properties | Image |
|---|
| MNX_ID | MNXM35694 |
 |
| reference | lipidmapsM:LMST03020247 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | JWUBBDSIWDLEOM-LBFATEQNSA-N |
| InChI | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25-,27-/m1/s1 |
| SMILES | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]1[CH2:10][CH2:13][C@H:23]([OH:28])[CH2:18]/[C:22]1=[CH:12]/[CH:11]=[C:21]1\[CH2:9][CH2:7][CH2:17][C@:27]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[CH2:8][CH2:6][CH2:16][C:26]([CH3:3])([CH3:4])[OH:29])[CH2:14][CH2:15][C@H:25]12 |
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