| Properties | Image |
|---|
| MNX_ID | MNXM113095 |
 |
| reference | slm:000199161 |
| formula | C60H104O6 |
| global charge | 0 |
| mol weight | 921.486 |
| InChIKey | DHJCCVDAXGTKHH-VXFAFUKASA-N |
| InChI | InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,37,40,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,40-37-/t57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,31,37,40,57H,4-8,10-11,13-15,17,20,22-24,26,29-30,32-36,38-39,41-56H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,31-27-,40-37-/t57-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63] |
|