| Properties | Image |
|---|
| MNX_ID | MNXM192150 |
 |
| reference | slm:000159854 |
| formula | C55H104O6 |
| global charge | 0 |
| mol weight | 861.431 |
| InChIKey | UNILJVYQIQGFQV-LMVRUUDTSA-N |
| InChI | InChI=1S/C55H104O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-29-24-22-20-17-14-11-8-5-2/h20,22,52H,4-19,21,23-51H2,1-3H3/b22-20+/t52-/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H104O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-29-24-22-20-17-14-11-8-5-2/h20,22,52H,4-19,21,23-51H2,1-3H3/b22-20+/t52-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:31][CH2:29][CH2:24]/[CH:22]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
|