| Properties | Image |
MNX_ID | MNXM346541 |
 |
reference | slm:000282895 |
formula | C69H128O6 |
global charge | 0 |
mol weight | 1053.777 |
InChIKey | CZFWJCZZVYXFDI-IVFJTLMVSA-N |
InChI | InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,66H,4-17,19-20,22-24,26,29,31-65H2,1-3H3/b21-18-,28-25-,30-27-/t66-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:67](=[O:70])[O:73][CH2:64][C@@H:66]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72] |
|