| Properties | Image |
|---|
| MNX_ID | MNXM229706 |
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| reference | slm:000175328 |
| formula | C57H106O6 |
| global charge | 0 |
| mol weight | 887.469 |
| InChIKey | NQHJTSBCRUSUTD-AIDCMRCISA-N |
| InChI | InChI=1S/C57H106O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-28-32-36-40-44-48-55(58)61-51-54(63-57(60)50-46-42-38-34-29-24-18-16-14-12-10-8-6-2)52-62-56(59)49-45-41-37-33-30-26-27-31-35-39-43-47-53(3)4/h10,12,16,18,53-54H,5-9,11,13-15,17,19-52H2,1-4H3/b12-10-,18-16-/t54-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C57H106O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-28-32-36-40-44-48-55(58)61-51-54(63-57(60)50-46-42-38-34-29-24-18-16-14-12-10-8-6-2)52-62-56(59)49-45-41-37-33-30-26-27-31-35-39-43-47-53(3)4/h10,12,16,18,53-54H,5-9,11,13-15,17,19-52H2,1-4H3/b12-10-,18-16-/t54-/m0/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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][C:55](=[O:58])[O:61][CH2:51][C@@H:54]([CH2:52][O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:30][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH:53]([CH3:3])[CH3:4])=[O:59])[O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:29][CH2:24]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:60] |
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