| Properties | Image |
|---|
| MNX_ID | MNXM213547 |
 |
| reference | slm:000179245 |
| formula | C58H100O6 |
| global charge | 0 |
| mol weight | 893.432 |
| InChIKey | ZUKOXEVYIPCIER-RUSQUTSLSA-N |
| InChI | InChI=1S/C58H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-38-35-31-32-36-40-44-48-54(3)4)64-58(61)51-47-43-39-34-30-28-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,25,30,34,54-55H,5-7,9,11-12,17-18,22-24,26-29,31-33,35-53H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,25-20-,34-30-/t55-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C58H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-38-35-31-32-36-40-44-48-54(3)4)64-58(61)51-47-43-39-34-30-28-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,25,30,34,54-55H,5-7,9,11-12,17-18,22-24,26-29,31-33,35-53H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,25-20-,34-30-/t55-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][C:56](=[O:59])[O:62][CH2:52][C@@H:55]([CH2:53][O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH:54]([CH3:3])[CH3:4])=[O:60])[O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39]/[CH:34]=[CH:30]\[CH2:28]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:61] |
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