| Properties | Image |
|---|
| MNX_ID | MNXM361355 |
 |
| reference | slm:000149370 |
| formula | C54H96O6 |
| global charge | 0 |
| mol weight | 841.356 |
| InChIKey | PGISIBAUFKENSJ-OOVHHBEFSA-N |
| InChI | InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33-34,36,51H,4-15,17-18,20-24,26,28-30,32,35,37-50H2,1-3H3/b19-16-,27-25-,34-31-,36-33-/t51-/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)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,27,31,33-34,36,51H,4-15,17-18,20-24,26,28-30,32,35,37-50H2,1-3H3/b19-16-,27-25-,34-31-,36-33-/t51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][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][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:31]\[CH2:28][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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