| Properties | Image |
|---|
| MNX_ID | MNXM213672 |
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| reference | slm:000150872 |
| formula | C54H98O6 |
| global charge | 0 |
| mol weight | 843.372 |
| InChIKey | KBWZINIWXMWZBM-XOASDPFOSA-N |
| InChI | InChI=1S/C54H98O6/c1-5-7-9-11-13-15-17-19-20-21-22-24-25-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)60-54(57)47-43-39-35-30-26-23-18-16-14-12-10-8-6-2/h13,15,19-20,26,30,50-51H,5-12,14,16-18,21-25,27-29,31-49H2,1-4H3/b15-13-,20-19-,30-26-/t51-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O6/c1-5-7-9-11-13-15-17-19-20-21-22-24-25-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)60-54(57)47-43-39-35-30-26-23-18-16-14-12-10-8-6-2/h13,15,19-20,26,30,50-51H,5-12,14,16-18,21-25,27-29,31-49H2,1-4H3/b15-13-,20-19-,30-26-/t51-/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:20]\[CH2:21][CH2:22][CH2:24][CH2:25][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][CH2:34][CH2:31][CH2:27][CH2:28][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][CH2:35]/[CH:30]=[CH:26]\[CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:57] |
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