| Properties | Image |
|---|
| MNX_ID | MNXM190778 |
 |
| reference | slm:000203952 |
| formula | C61H98O6 |
| global charge | 0 |
| mol weight | 927.449 |
| InChIKey | XZMCLICMAFHCSR-QRIGLQNISA-N |
| InChI | InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21+,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,33-34,36-37,42-43,45-46,58H,4-6,8-9,11-15,18,22-23,27,30-32,35,38-41,44,47-57H2,1-3H3/b10-7-,19-16-,20-17-,24-21+,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/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]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH: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][CH2:35][CH2:32][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][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:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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