| Properties | Image |
|---|
| MNX_ID | MNXM337201 |
 |
| reference | slm:000154163 |
| formula | C55H94O6 |
| global charge | 0 |
| mol weight | 851.351 |
| InChIKey | TXFLZRZMDSCWDV-NJCPMBBSSA-N |
| InChI | InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,52H,4-6,8-9,11-14,17,20-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-26,28-29,31,52H,4-6,8-9,11-14,17,20-23,27,30,32-51H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,28-25-,31-29-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:31]\[CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30]/[CH:28]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
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