| Properties | Image |
|---|
| MNX_ID | MNXM331541 |
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| reference | slm:000163811 |
| formula | C56H100O6 |
| global charge | 0 |
| mol weight | 869.41 |
| InChIKey | IYLMFYHRLUEQPJ-OZOPOJSASA-N |
| InChI | InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,53H,4-16,18-19,22-23,25,27,29-33,35-36,38-52H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][C@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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