| Properties | Image |
|---|
| MNX_ID | MNXM112275 |
 |
| reference | slm:000151288 |
| formula | C55H88O6 |
| global charge | 0 |
| mol weight | 845.303 |
| InChIKey | XVAIUFYOCQGQHS-GEPLIRACSA-N |
| InChI | InChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33-34,36-37,52H,4-6,9,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C55H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,33-34,36-37,52H,4-6,9,12-15,18,22-23,29-32,35,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,36-33-,37-34-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:30]/[CH:33]=[CH: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][CH2:29]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:58] |
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