| Properties | Image |
|---|
| MNX_ID | MNXM350824 |
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| reference | slm:000147960 |
| formula | C54H92O6 |
| global charge | 0 |
| mol weight | 837.324 |
| InChIKey | XYSGIPCGAYSJAU-XEYJOERSSA-N |
| InChI | InChI=1S/C54H92O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-30-35-39-43-47-54(57)60-51(48-58-52(55)45-41-37-33-28-14-12-10-8-6-2)49-59-53(56)46-42-38-34-31-27-29-32-36-40-44-50(3)4/h7,9,13,15,17-18,20-21,23-24,26,30,50-51H,5-6,8,10-12,14,16,19,22,25,27-29,31-49H2,1-4H3/b9-7-,15-13-,18-17-,21-20-,24-23-,30-26-/t51-/m1/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)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H92O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-30-35-39-43-47-54(57)60-51(48-58-52(55)45-41-37-33-28-14-12-10-8-6-2)49-59-53(56)46-42-38-34-31-27-29-32-36-40-44-50(3)4/h7,9,13,15,17-18,20-21,23-24,26,30,50-51H,5-6,8,10-12,14,16,19,22,25,27-29,31-49H2,1-4H3/b9-7-,15-13-,18-17-,21-20-,24-23-,30-26-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:30]\[CH2:35][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][CH2:28][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55])[CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56] |
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