| Properties | Image |
|---|
| MNX_ID | MNXM214356 |
 |
| reference | slm:000133288 |
| formula | C50H90O6 |
| global charge | 0 |
| mol weight | 787.264 |
| InChIKey | WJPQVRMHCPRSLZ-ANLIHSAOSA-N |
| InChI | InChI=1S/C50H90O6/c1-5-7-9-11-13-15-17-19-21-25-29-33-37-41-48(51)54-44-47(45-55-49(52)42-38-34-30-27-23-24-28-32-36-40-46(3)4)56-50(53)43-39-35-31-26-22-20-18-16-14-12-10-8-6-2/h10,12,16,18,21,25,46-47H,5-9,11,13-15,17,19-20,22-24,26-45H2,1-4H3/b12-10-,18-16-,25-21-/t47-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H90O6/c1-5-7-9-11-13-15-17-19-21-25-29-33-37-41-48(51)54-44-47(45-55-49(52)42-38-34-30-27-23-24-28-32-36-40-46(3)4)56-50(53)43-39-35-31-26-22-20-18-16-14-12-10-8-6-2/h10,12,16,18,21,25,46-47H,5-9,11,13-15,17,19-20,22-24,26-45H2,1-4H3/b12-10-,18-16-,25-21-/t47-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19]/[CH:21]=[CH:25]\[CH2:29][CH2:33][CH2:37][CH2:41][C:48](=[O:51])[O:54][CH2:44][C@@H:47]([CH2:45][O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:27][CH2:23][CH2:24][CH2:28][CH2:32][CH2:36][CH2:40][CH:46]([CH3:3])[CH3:4])=[O:52])[O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:26][CH2:22][CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:53] |
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