| Properties | Image |
|---|
| MNX_ID | MNXM337533 |
 |
| reference | slm:000152180 |
| formula | C55H90O6 |
| global charge | 0 |
| mol weight | 847.319 |
| InChIKey | PREZPEHJCVIGBG-YGNNQDEKSA-N |
| InChI | InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10-11,14-16,18-20,23-25,27-28,31,33,52H,4-6,8-9,12-13,17,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,14-11-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCC |
MNX internals
| InChI (mnx) | InChI=1/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10-11,14-16,18-20,23-25,27-28,31,33,52H,4-6,8-9,12-13,17,21-22,26,29-30,32,34-51H2,1-3H3/b10-7-,14-11-,18-15-,19-16-,23-20-,25-24-,28-27-,33-31-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:58] |
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