| Properties | Image |
|---|
| MNX_ID | MNXM187086 |
 |
| reference | slm:000235659 |
| formula | C64H104O6 |
| global charge | 0 |
| mol weight | 969.53 |
| InChIKey | LFQHKPJIGQJMKD-GMUGIULRSA-N |
| InChI | InChI=1S/C64H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-45-41-42-46-50-54-60(3)4)70-64(67)57-53-49-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,25-28,31-34,38,40,60-61H,5-7,9,11-12,17-18,23-24,29-30,35-37,39,41-59H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,40-38-/t61-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C64H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-45-41-42-46-50-54-60(3)4)70-64(67)57-53-49-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,25-28,31-34,38,40,60-61H,5-7,9,11-12,17-18,23-24,29-30,35-37,39,41-59H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,40-38-/t61-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][C:62](=[O:65])[O:68][CH2:58][C@@H:61]([CH2:59][O:69][C:63]([CH2:56][CH2:52][CH2:48][CH2:45][CH2:41][CH2:42][CH2:46][CH2:50][CH2:54][CH:60]([CH3:3])[CH3:4])=[O:66])[O:70][C:64]([CH2:57][CH2:53][CH2:49][CH2:44]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:67] |
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