| Properties | Image |
|---|
| MNX_ID | MNXM350063 |
 |
| reference | slm:000155140 |
| formula | C55H96O6 |
| global charge | 0 |
| mol weight | 853.367 |
| InChIKey | OFQDLMMPICQSOQ-XTLFSHBISA-N |
| InChI | InChI=1S/C55H96O6/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/h16-17,19-20,23-25,29,33,36,52H,4-15,18,21-22,26-28,30-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,25-23-,29-24-,36-33-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O6/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/h16-17,19-20,23-25,29,33,36,52H,4-15,18,21-22,26-28,30-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,25-23-,29-24-,36-33-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH: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]/[CH:36]=[CH:33]\[CH2:31]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
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