| Properties | Image |
|---|
| MNX_ID | MNXM190893 |
 |
| reference | slm:000179511 |
| formula | C58H100O6 |
| global charge | 0 |
| mol weight | 893.432 |
| InChIKey | NBTUXFRQFLDQTA-MHMNQMOZSA-N |
| InChI | InChI=1S/C58H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-38-43-47-51-58(61)64-55(53-63-57(60)50-46-42-39-35-36-40-44-48-54(3)4)52-62-56(59)49-45-41-37-33-31-29-27-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,23-24,26,28,32,34,54-55H,5-12,14,17,20,22,25,27,29-31,33,35-53H2,1-4H3/b15-13-,18-16+,21-19-,24-23-,28-26-,34-32-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C58H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-38-43-47-51-58(61)64-55(53-63-57(60)50-46-42-39-35-36-40-44-48-54(3)4)52-62-56(59)49-45-41-37-33-31-29-27-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,23-24,26,28,32,34,54-55H,5-12,14,17,20,22,25,27,29-31,33,35-53H2,1-4H3/b15-13-,18-16+,21-19-,24-23-,28-26-,34-32-/t55-/m1/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]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:38][CH2:43][CH2:47][CH2:51][C:58](=[O:61])[O:64][C@H:55]([CH2:52][O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:31][CH2:29][CH2:27][CH2:20]/[CH:18]=[CH:16]/[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59])[CH2:53][O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:39][CH2:35][CH2:36][CH2:40][CH2:44][CH2:48][CH:54]([CH3:3])[CH3:4])=[O:60] |
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