| Properties | Image |
|---|
| MNX_ID | MNXM337299 |
 |
| reference | slm:000154184 |
| formula | C55H94O6 |
| global charge | 0 |
| mol weight | 851.351 |
| InChIKey | DWTWBZKEQWJPFI-RPEADTKXSA-N |
| InChI | InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-26,28-30,52H,4-14,17,21-22,27,31-51H2,1-3H3/b18-15-,19-16-,23-20+,26-24-,28-25-,30-29-/t52-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-26,28-30,52H,4-14,17,21-22,27,31-51H2,1-3H3/b18-15-,19-16-,23-20+,26-24-,28-25-,30-29-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:30]\[CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:28]=[CH:25]\[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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