| Properties | Image |
|---|
| MNX_ID | MNXM323757 |
 |
| reference | slm:000201979 |
| formula | C61H96O6 |
| global charge | 0 |
| mol weight | 925.433 |
| InChIKey | PGQHPPFZSRGEJX-IVSQLKSUSA-N |
| InChI | InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11-12,15-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,13-14,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,15-12-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCC |
MNX internals
| InChI (mnx) | InChI=1/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11-12,15-17,19-21,24-28,30,32,34,36-37,39,45,48,58H,4-7,9-10,13-14,18,22-23,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b11-8-,15-12-,19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:33]/[CH:36]=[CH:39]\[CH2:42]/[CH:45]=[CH:48]\[CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:62])[O:67][C:61]([CH2:55][CH2:52][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]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:64] |
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