| Properties | Image |
|---|
| MNX_ID | MNXM1192180 |
 |
| reference | envipathM:...45092a64883f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | IRBGPQMDSBYKPF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(62)65-45(42-63-52(60)38-28-24-19-21-26-34-46(56)47(57)36-31-33-44(55)32-6-3)43-64-53(61)39-29-25-20-22-27-35-48(58)49(59)41-51-50(66-51)37-8-5-2/h10-11,13-14,31,33,44-47,50-51,55-57H,4-9,12,15-30,32,34-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(=O)CC1OC1CCCC)COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(62)65-45(42-63-52(60)38-28-24-19-21-26-34-46(56)47(57)36-31-33-44(55)32-6-3)43-64-53(61)39-29-25-20-22-27-35-48(58)49(59)41-51-50(66-51)37-8-5-2/h10-11,13-14,31,33,44-47,50-51,55-57H,4-9,12,15-30,32,34-43H2,1-3H3/b11-10?,14-13?,33-31?/t44?,45?,46?,47?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:42][O:63][C:52]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:34][CH:46]([CH:47]([CH2:36][CH:31]=[CH:33][CH:44]([CH2:32][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:60])[CH2:43][O:64][C:53]([CH2:39][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:35][C:48]([C:49]([CH2:41][CH:51]1[CH:50]([CH2:37][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:59])=[O:58])=[O:61] |
|