| Properties | Image |
|---|
| MNX_ID | MNXM176417 |
 |
| reference | slm:000152357 |
| formula | C55H90O6 |
| global charge | 0 |
| mol weight | 847.319 |
| InChIKey | UDMLGARGCOVUEB-ATVOAZQNSA-N |
| InChI | InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h11-12,14-16,19-21,23-26,28,31,36,39,52H,4-10,13,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b14-11-,15-12-,19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCC |
MNX internals
| InChI (mnx) | InChI=1/C55H90O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h11-12,14-16,19-21,23-26,28,31,36,39,52H,4-10,13,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b14-11-,15-12-,19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:31]\[CH2:33]/[CH:36]=[CH: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:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:58] |
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