| Properties | Image |
|---|
| MNX_ID | MNXM190592 |
 |
| reference | slm:000207970 |
| formula | C61H102O6 |
| global charge | 0 |
| mol weight | 931.481 |
| InChIKey | PAUYVYKNXSNPGS-ALHGPVRQSA-N |
| InChI | InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,39-40,42,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38,41,43-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20+,28-25-,31-30-,40-37-,42-39-,49-46-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19-20,23,25,28,30-31,37,39-40,42,46,49,58H,4-6,8-9,11-15,17-18,21-22,24,26-27,29,32-36,38,41,43-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,23-20+,28-25-,31-30-,40-37-,42-39-,49-46-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43]/[CH:46]=[CH:49]\[CH2:52][CH2:55][C:61](=[O:64])[O:67][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36][CH2:33][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63] |
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