| Properties | Image |
|---|
| MNX_ID | MNXM335470 |
 |
| reference | slm:000129085 |
| formula | C48H86O6 |
| global charge | 0 |
| mol weight | 759.21 |
| InChIKey | QDQHNRHJUUUOPA-BVVWBHFQSA-N |
| InChI | InChI=1S/C48H86O6/c1-5-7-9-11-13-15-17-18-19-20-22-24-28-32-36-40-47(50)53-43-45(54-48(51)41-37-33-29-25-26-30-34-38-44(3)4)42-52-46(49)39-35-31-27-23-21-16-14-12-10-8-6-2/h12,14-15,17-19,44-45H,5-11,13,16,20-43H2,1-4H3/b14-12-,17-15+,19-18-/t45-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C=C\CCCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C48H86O6/c1-5-7-9-11-13-15-17-18-19-20-22-24-28-32-36-40-47(50)53-43-45(54-48(51)41-37-33-29-25-26-30-34-38-44(3)4)42-52-46(49)39-35-31-27-23-21-16-14-12-10-8-6-2/h12,14-15,17-19,44-45H,5-11,13,16,20-43H2,1-4H3/b14-12-,17-15+,19-18-/t45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH:18]=[CH:19]\[CH2:20][CH2:22][CH2:24][CH2:28][CH2:32][CH2:36][CH2:40][C:47](=[O:50])[O:53][CH2:43][C@@H:45]([CH2:42][O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:21][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:49])[O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH:44]([CH3:3])[CH3:4])=[O:51] |
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