| Properties | Image |
|---|
| MNX_ID | MNXM38051 |
 |
| reference | lipidmapsM:LMST01031022 |
| formula | C28H46O |
| global charge | 0 |
| mol weight | 398.675 |
| InChIKey | ATIPVUGMJZAJPC-IMUDCKKOSA-N |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,23-26H,7-8,10-17H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1 |
| SMILES | CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,23-26H,7-8,10-17H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C@H:19]([CH3:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH:9]=[C:21]4[CH2:17][C:22](=[O:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6] |
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