| Properties | Image |
|---|
| MNX_ID | MNXM192221 |
 |
| reference | slm:000129731 |
| formula | C48H90O6 |
| global charge | 0 |
| mol weight | 763.242 |
| InChIKey | CNOQRMCEQKLDAH-ADCNWKQQSA-N |
| InChI | InChI=1S/C48H90O6/c1-4-7-10-13-16-19-21-23-24-25-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-22-20-17-14-11-8-5-2/h19,21,45H,4-18,20,22-44H2,1-3H3/b21-19+/t45-/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H90O6/c1-4-7-10-13-16-19-21-23-24-25-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-22-20-17-14-11-8-5-2/h19,21,45H,4-18,20,22-44H2,1-3H3/b21-19+/t45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:21]/[CH2:23][CH2:24][CH2:25][CH2:27][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:28][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51] |
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