| Properties | Image |
|---|
| MNX_ID | MNXM336611 |
 |
| reference | slm:000203225 |
| formula | C61H98O6 |
| global charge | 0 |
| mol weight | 927.449 |
| InChIKey | LUXYDZOBYVIAOR-NOKKUFQCSA-N |
| InChI | InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29-30,33-35,37,43,46,58H,4-7,9-10,12-14,21-23,28,31-32,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,30-29-,34-33-,37-35-,46-43-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-32-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,29-30,33-35,37,43,46,58H,4-7,9-10,12-14,21-23,28,31-32,36,38-42,44-45,47-57H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,30-29-,34-33-,37-35-,46-43-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:34]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][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][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:35]\[CH2:32]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:64] |
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