| Properties | Image |
|---|
| MNX_ID | MNXM319761 |
 |
| reference | slm:000147182 |
| formula | C54H90O6 |
| global charge | 0 |
| mol weight | 835.308 |
| InChIKey | JRMUCLQYUPZNBP-BOTCDLTDSA-N |
| InChI | InChI=1S/C54H90O6/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-34-39-43-47-54(57)60-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-27-25-23-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-24,26,30,34,50-51H,5-7,9,11-12,17-18,22,25,27-29,31-33,35-49H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,23-20-,26-24-,34-30-/t51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O6/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-34-39-43-47-54(57)60-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-27-25-23-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-24,26,30,34,50-51H,5-7,9,11-12,17-18,22,25,27-29,31-33,35-49H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,23-20-,26-24-,34-30-/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:26]\[CH2:28]/[CH:30]=[CH:34]\[CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][C@H:51]([CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:55])[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] |
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