| Properties | Image |
|---|
| MNX_ID | MNXM187545 |
 |
| reference | slm:000156379 |
| formula | C55H98O6 |
| global charge | 0 |
| mol weight | 855.383 |
| InChIKey | SBNMMLSTHURIOT-NAXXANDESA-N |
| InChI | InChI=1S/C55H98O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-35-40-44-48-55(58)61-52(50-60-54(57)47-43-39-36-32-33-37-41-45-51(3)4)49-59-53(56)46-42-38-34-30-28-26-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,27,29,51-52H,5-12,14,16-18,20,22,25-26,28,30-50H2,1-4H3/b15-13-,21-19-,24-23-,29-27-/t52-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H98O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-35-40-44-48-55(58)61-52(50-60-54(57)47-43-39-36-32-33-37-41-45-51(3)4)49-59-53(56)46-42-38-34-30-28-26-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,27,29,51-52H,5-12,14,16-18,20,22,25-26,28,30-50H2,1-4H3/b15-13-,21-19-,24-23-,29-27-/t52-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:35][CH2:40][CH2:44][CH2:48][C:55](=[O:58])[O:61][C@@H:52]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:28][CH2:26][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:56])[CH2:50][O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:36][CH2:32][CH2:33][CH2:37][CH2:41][CH2:45][CH:51]([CH3:3])[CH3:4])=[O:57] |
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