| Properties | Image |
|---|
| MNX_ID | MNXM386232 |
 |
| reference | slm:000145397 |
| formula | C54H100O5 |
| global charge | 0 |
| mol weight | 829.389 |
| InChIKey | SAMCCZGIXAWKJI-BTINTHOSSA-N |
| InChI | InChI=1S/C54H100O5/c1-5-7-9-11-13-15-17-19-20-21-22-24-25-30-34-38-42-46-53(55)58-50-52(49-57-48-44-40-36-32-28-27-29-33-37-41-45-51(3)4)59-54(56)47-43-39-35-31-26-23-18-16-14-12-10-8-6-2/h13,15,19-20,26,31,51-52H,5-12,14,16-18,21-25,27-30,32-50H2,1-4H3/b15-13-,20-19-,31-26-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCC(C)C)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H100O5/c1-5-7-9-11-13-15-17-19-20-21-22-24-25-30-34-38-42-46-53(55)58-50-52(49-57-48-44-40-36-32-28-27-29-33-37-41-45-51(3)4)59-54(56)47-43-39-35-31-26-23-18-16-14-12-10-8-6-2/h13,15,19-20,26,31,51-52H,5-12,14,16-18,21-25,27-30,32-50H2,1-4H3/b15-13-,20-19-,31-26-/t52-/m1/s1 |
 |
| 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][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][C:53](=[O:55])[O:58][CH2:50][C@@H:52]([CH2:49][O:57][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH:51]([CH3:3])[CH3:4])[O:59][C:54]([CH2:47][CH2:43][CH2:39][CH2:35]/[CH:31]=[CH:26]\[CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:56] |
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