| Properties | Image |
|---|
| MNX_ID | MNXM326981 |
 |
| reference | slm:000138846 |
| formula | C52H90O6 |
| global charge | 0 |
| mol weight | 811.286 |
| InChIKey | VLLBZDLMROCHJW-KMHKUZNTSA-N |
| InChI | InChI=1S/C52H90O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,26,28,48-49H,5-12,17-18,23-25,27,29-47H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,28-26-/t49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H90O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,26,28,48-49H,5-12,17-18,23-25,27,29-47H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,28-26-/t49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][CH2:46][C@H:49]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:54])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:32]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55] |
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