| Properties | Image |
|---|
| MNX_ID | MNXM289493 |
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| reference | slm:000138754 |
| formula | C52H90O6 |
| global charge | 0 |
| mol weight | 811.286 |
| InChIKey | LPPSATJBCQXTDG-UMPDKYPRSA-N |
| InChI | InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,30-31,33-34,49H,4-7,9-10,12-16,18-19,21-24,26,28-29,32,35-48H2,1-3H3/b11-8-,20-17-,27-25-,33-30-,34-31-/t49-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,30-31,33-34,49H,4-7,9-10,12-16,18-19,21-24,26,28-29,32,35-48H2,1-3H3/b11-8-,20-17-,27-25-,33-30-,34-31-/t49-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:55] |
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