| Properties | Image |
|---|
| MNX_ID | MNXM30694 |
 |
| reference | lipidmapsM:LMST03020298 |
| formula | C27H44O4 |
| global charge | 0 |
| mol weight | 432.645 |
| InChIKey | HNYDOPFRXKGAFR-KQOKQZFRSA-N |
| InChI | InChI=1S/C27H44O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-25,28-31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23+,24+,25?,27-/m1/s1 |
| SMILES | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C[C@H](O)C(O)C(C)(C)O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C27H44O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-25,28-31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23+,24+,25?,27-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]1[CH2:8][CH2:11][C@H:21]([OH:28])[CH2:16]/[C:20]1=[CH:10]/[CH:9]=[C:19]1\[CH2:7][CH2:6][CH2:14][C@:27]2([CH3:5])[C@@H:22]([C@H:18]([CH3:2])[CH2:15][C@@H:24]([CH:25]([C:26]([CH3:3])([CH3:4])[OH:31])[OH:30])[OH:29])[CH2:12][CH2:13][C@@H:23]12 |
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