| Properties | Image |
|---|
| MNX_ID | MNXM324047 |
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| reference | slm:000170580 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | PJJWVDVMBBCEAL-GUHVNRLFSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h11,14,16,19-20,23-25,27-28,30-31,54H,4-10,12-13,15,17-18,21-22,26,29,32-53H2,1-3H3/b14-11-,19-16-,23-20-,25-24-,28-27-,31-30-/t54-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2/h11,14,16,19-20,23-25,27-28,30-31,54H,4-10,12-13,15,17-18,21-22,26,29,32-53H2,1-3H3/b14-11-,19-16-,23-20-,25-24-,28-27-,31-30-/t54-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:59] |
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