| Properties | Image |
|---|
| MNX_ID | MNXM191039 |
 |
| reference | slm:000155794 |
| formula | C55H96O6 |
| global charge | 0 |
| mol weight | 853.367 |
| InChIKey | CYAIVYWLWFHNAT-IXBCOBMPSA-N |
| InChI | InChI=1S/C55H96O6/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/h17,19-20,22,26,28,32,34-35,37,52H,4-16,18,21,23-25,27,29-31,33,36,38-51H2,1-3H3/b20-17-,22-19+,28-26-,35-32-,37-34-/t52-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O6/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/h17,19-20,22,26,28,32,34-35,37,52H,4-16,18,21,23-25,27,29-31,33,36,38-51H2,1-3H3/b20-17-,22-19+,28-26-,35-32-,37-34-/t52-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]/[CH2:25][CH2:27][CH2:30][CH2:33][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]/[CH:35]=[CH:32]\[CH2:29][CH2:24][CH2:21][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][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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