| Properties | Image |
|---|
| MNX_ID | MNXM214622 |
 |
| reference | slm:000129108 |
| formula | C48H86O6 |
| global charge | 0 |
| mol weight | 759.21 |
| InChIKey | DFIOYFDEQIQAGY-KPDOVZFCSA-N |
| InChI | InChI=1S/C48H86O6/c1-5-7-9-11-13-15-17-18-20-23-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-24-19-16-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-22-26-30-34-38-44(3)4/h9,11-12,14-15,17,44-45H,5-8,10,13,16,18-43H2,1-4H3/b11-9-,14-12-,17-15-/t45-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H86O6/c1-5-7-9-11-13-15-17-18-20-23-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-24-19-16-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-22-26-30-34-38-44(3)4/h9,11-12,14-15,17,44-45H,5-8,10,13,16,18-43H2,1-4H3/b11-9-,14-12-,17-15-/t45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:18][CH2:20][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][C:46](=[O:49])[O:52][CH2:42][C@@H:45]([CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:28][CH2:25][CH2:21][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][CH:44]([CH3:3])[CH3:4])=[O:50])[O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:24][CH2:19][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:51] |
|