| Properties | Image |
MNX_ID | MNXM357884 |
 |
reference | slm:000185045 |
formula | C58H108O6 |
global charge | 0 |
mol weight | 901.496 |
InChIKey | WEXOVBPEXDNIRK-QSMXRMGZSA-N |
InChI | InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-26-23-20-17-14-11-8-5-2/h35,37-38,40,55H,4-34,36,39,41-54H2,1-3H3/b38-35-,40-37-/t55-/m0/s1 |
SMILES | CCCCCCCCC/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-26-23-20-17-14-11-8-5-2/h35,37-38,40,55H,4-34,36,39,41-54H2,1-3H3/b38-35-,40-37-/t55-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:29][CH2:31][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:35]\[CH2:33][CH2:30][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:32][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
|