| Properties | Image |
|---|
| MNX_ID | MNXM335283 |
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| reference | slm:000159616 |
| formula | C55H104O6 |
| global charge | 0 |
| mol weight | 861.431 |
| InChIKey | PKIBWRABVKCZBS-SIJSOONYSA-N |
| InChI | InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-34-37-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-35-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-36-33-31-29-25-23-20-17-14-11-8-5-2/h25,29,52H,4-24,26-28,30-51H2,1-3H3/b29-25-/t52-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-34-37-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-35-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-36-33-31-29-25-23-20-17-14-11-8-5-2/h25,29,52H,4-24,26-28,30-51H2,1-3H3/b29-25-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][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][CH2:36][CH2:33][CH2:31]/[CH:29]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:35][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58] |
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