| Properties | Image |
|---|
| MNX_ID | MNXM191112 |
 |
| reference | slm:000155800 |
| formula | C55H96O6 |
| global charge | 0 |
| mol weight | 853.367 |
| InChIKey | CFGWWKDUUVBUTL-HQRHPYJSSA-N |
| InChI | InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,34,37,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,23-20+,27-25-,37-34-/t52-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,27,34,37,52H,4-6,8-9,11-15,17-18,21-22,24,26,28-33,35-36,38-51H2,1-3H3/b10-7-,19-16-,23-20+,27-25-,37-34-/t52-/m0/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][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:52]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:31][CH2:28][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:29][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58] |
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