| Properties | Image |
|---|
| MNX_ID | MNXM234227 |
 |
| reference | slm:000274119 |
| formula | C68H120O6 |
| global charge | 0 |
| mol weight | 1033.702 |
| InChIKey | IUMRJRWNXJDLED-PMPXOKSBSA-N |
| InChI | InChI=1S/C68H120O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-55-59-66(69)72-62-65(74-68(71)61-57-53-49-45-41-37-38-42-46-50-54-58-64(3)4)63-73-67(70)60-56-52-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13,15,19-22,25,27,31,33,39,43,64-65H,5-12,14,16-18,23-24,26,28-30,32,34-38,40-42,44-63H2,1-4H3/b15-13-,21-19-,22-20-,27-25-,33-31-,43-39-/t65-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C68H120O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-55-59-66(69)72-62-65(74-68(71)61-57-53-49-45-41-37-38-42-46-50-54-58-64(3)4)63-73-67(70)60-56-52-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13,15,19-22,25,27,31,33,39,43,64-65H,5-12,14,16-18,23-24,26,28-30,32,34-38,40-42,44-63H2,1-4H3/b15-13-,21-19-,22-20-,27-25-,33-31-,43-39-/t65-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:39]=[CH:43]\[CH2:47][CH2:51][CH2:55][CH2:59][C:66](=[O:69])[O:72][CH2:62][C@@H:65]([CH2:63][O:73][C:67]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:70])[O:74][C:68]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH:64]([CH3:3])[CH3:4])=[O:71] |
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