| Properties | Image |
|---|
| MNX_ID | MNXM188278 |
 |
| reference | slm:000128217 |
| formula | C47H88O6 |
| global charge | 0 |
| mol weight | 749.215 |
| InChIKey | ILTHMSLNRKEKGL-HTUUAQQDSA-N |
| InChI | InChI=1S/C47H88O6/c1-5-7-9-11-13-15-17-18-19-21-22-26-30-34-38-45(48)51-41-44(42-52-46(49)39-35-31-28-24-25-29-33-37-43(3)4)53-47(50)40-36-32-27-23-20-16-14-12-10-8-6-2/h12,14,43-44H,5-11,13,15-42H2,1-4H3/b14-12-/t44-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C47H88O6/c1-5-7-9-11-13-15-17-18-19-21-22-26-30-34-38-45(48)51-41-44(42-52-46(49)39-35-31-28-24-25-29-33-37-43(3)4)53-47(50)40-36-32-27-23-20-16-14-12-10-8-6-2/h12,14,43-44H,5-11,13,15-42H2,1-4H3/b14-12-/t44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][C:45](=[O:48])[O:51][CH2:41][C@@H:44]([CH2:42][O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:28][CH2:24][CH2:25][CH2:29][CH2:33][CH2:37][CH:43]([CH3:3])[CH3:4])=[O:49])[O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:27][CH2:23][CH2:20][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:50] |
|