| Properties | Image |
|---|
| MNX_ID | MNXM33922 |
 |
| reference | lipidmapsM:LMST03020039 |
| formula | C26H40O5 |
| global charge | 0 |
| mol weight | 432.601 |
| InChIKey | MJJSZBKMWZFDAD-NQZCJAQVSA-N |
| InChI | InChI=1S/C26H40O5/c1-16-19(13-20(27)14-23(16)28)9-8-18-7-6-12-26(5)21(10-11-22(18)26)17(2)31-15-24(29)25(3,4)30/h8-9,17,20-23,27-28,30H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,26+/m0/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCC(=O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H40O5/c1-16-19(13-20(27)14-23(16)28)9-8-18-7-6-12-26(5)21(10-11-22(18)26)17(2)31-15-24(29)25(3,4)30/h8-9,17,20-23,27-28,30H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,26+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:16]1/[C:19](=[CH:9]\[CH:8]=[C:18]2/[CH2:7][CH2:6][CH2:12][C@:26]3([CH3:5])[C@@H:21]([C@H:17]([CH3:2])[O:31][CH2:15][C:24]([C:25]([CH3:3])([CH3:4])[OH:30])=[O:29])[CH2:10][CH2:11][C@@H:22]23)[CH2:13][C@@H:20]([OH:27])[CH2:14][C@@H:23]1[OH:28] |
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