| Properties | Image |
|---|
| MNX_ID | MNXM34051 |
 |
| reference | lipidmapsM:LMST03020415 |
| formula | C29H48O2 |
| global charge | 0 |
| mol weight | 428.701 |
| InChIKey | QFGMSRFTMOGGMD-YHJZYTGLSA-N |
| InChI | InChI=1S/C29H48O2/c1-6-22(7-2)11-8-10-20(3)26-15-16-27-23(12-9-17-29(26,27)5)13-14-24-18-25(30)19-28(31)21(24)4/h13-14,20,22,25-28,30-31H,4,6-12,15-19H2,1-3,5H3/b23-13+,24-14-/t20-,25-,26-,27+,28+,29-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O2/c1-6-22(7-2)11-8-10-20(3)26-15-16-27-23(12-9-17-29(26,27)5)13-14-24-18-25(30)19-28(31)21(24)4/h13-14,20,22,25-28,30-31H,4,6-12,15-19H2,1-3,5H3/b23-13+,24-14-/t20-,25-,26-,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH:22]([CH2:7][CH3:2])[CH2:11][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:26]1[CH2:15][CH2:16][C@H:27]2/[C:23](=[CH:13]/[CH:14]=[C:24]3/[CH2:18][C@@H:25]([OH:30])[CH2:19][C@H:28]([OH:31])[C:21]3=[CH2:4])[CH2:12][CH2:9][CH2:17][C@:29]12[CH3:5] |
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