| Properties | Image |
|---|
| MNX_ID | MNXM305310 |
 |
| reference | slm:000147226 |
| formula | C54H90O6 |
| global charge | 0 |
| mol weight | 835.308 |
| InChIKey | SAMIMFZNTPLFCH-QIOPBBONSA-N |
| InChI | InChI=1S/C54H90O6/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)60-54(57)47-43-39-34-30-28-26-23-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-25,28,30,50-51H,5-7,9,11-12,17-18,22,26-27,29,31-49H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,23-20-,25-24-,30-28-/t51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H90O6/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)60-54(57)47-43-39-34-30-28-26-23-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-25,28,30,50-51H,5-7,9,11-12,17-18,22,26-27,29,31-49H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,23-20-,25-24-,30-28-/t51-/m1/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:24]=[CH:25]\[CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@H:51]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:34]/[CH:30]=[CH:28]\[CH2:26]/[CH:23]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:57] |
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