| Properties | Image |
|---|
| MNX_ID | MNXM326040 |
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| reference | slm:000175306 |
| formula | C57H106O6 |
| global charge | 0 |
| mol weight | 887.469 |
| InChIKey | HGEMLLFWBNADQB-YIYWRWHUSA-N |
| InChI | InChI=1S/C57H106O6/c1-5-7-9-11-13-15-17-19-21-22-23-25-27-29-33-37-41-45-49-56(59)62-52-54(63-57(60)50-46-42-38-34-30-31-35-39-43-47-53(3)4)51-61-55(58)48-44-40-36-32-28-26-24-20-18-16-14-12-10-8-6-2/h14,16,20,24,53-54H,5-13,15,17-19,21-23,25-52H2,1-4H3/b16-14-,24-20-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C57H106O6/c1-5-7-9-11-13-15-17-19-21-22-23-25-27-29-33-37-41-45-49-56(59)62-52-54(63-57(60)50-46-42-38-34-30-31-35-39-43-47-53(3)4)51-61-55(58)48-44-40-36-32-28-26-24-20-18-16-14-12-10-8-6-2/h14,16,20,24,53-54H,5-13,15,17-19,21-23,25-52H2,1-4H3/b16-14-,24-20-/t54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][C:56](=[O:59])[O:62][CH2:52][C@@H:54]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:26]/[CH:24]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:58])[O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH:53]([CH3:3])[CH3:4])=[O:60] |
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