| Properties | Image |
|---|
| MNX_ID | MNXM186017 |
 |
| reference | slm:000179580 |
| formula | C58H100O6 |
| global charge | 0 |
| mol weight | 893.432 |
| InChIKey | SQIYUOXHEZDGDF-FVIOYSGYSA-N |
| InChI | InChI=1S/C58H100O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-39-35-36-40-44-48-54(3)4)64-58(61)51-47-43-38-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26,29,31,54-55H,5-6,8,10-12,14,16-18,23,25,27-28,30,32-53H2,1-4H3/b9-7-,15-13-,21-19-,22-20-,26-24-,31-29-/t55-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H100O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-39-35-36-40-44-48-54(3)4)64-58(61)51-47-43-38-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26,29,31,54-55H,5-6,8,10-12,14,16-18,23,25,27-28,30,32-53H2,1-4H3/b9-7-,15-13-,21-19-,22-20-,26-24-,31-29-/t55-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:31]\[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][CH2:39][CH2:35][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][CH2:38][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61] |
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