| Properties | Image |
|---|
| MNX_ID | MNXM1185015 |
 |
| reference | envipathM:...760bcdb15d86 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FIZVLZSQQVYIDT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-2-3-34-50-51(67-50)41-47(59)45(57)32-24-20-21-25-33-46(58)54(62)64-43-44(65-53(61)38-29-18-12-10-8-6-4-5-7-9-11-13-22-30-39-55)42-63-52(60)37-28-19-14-16-26-35-48-49(66-48)36-27-17-15-23-31-40-56/h4-5,9,11,17,27,40,44-51,55,57-59H,2-3,6-8,10,12-16,18-26,28-39,41-43H2,1H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-2-3-34-50-51(67-50)41-47(59)45(57)32-24-20-21-25-33-46(58)54(62)64-43-44(65-53(61)38-29-18-12-10-8-6-4-5-7-9-11-13-22-30-39-55)42-63-52(60)37-28-19-14-16-26-35-48-49(66-48)36-27-17-15-23-31-40-56/h4-5,9,11,17,27,40,44-51,55,57-59H,2-3,6-8,10,12-16,18-26,28-39,41-43H2,1H3/b5-4?,11-9?,27-17?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:34][CH:50]1[CH:51]([CH2:41][CH:47]([CH:45]([CH2:32][CH2:24][CH2:20][CH2:21][CH2:25][CH2:33][CH:46]([C:54](=[O:62])[O:64][CH2:43][CH:44]([CH2:42][O:63][C:52]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:16][CH2:26][CH2:35][CH:48]2[CH:49]([CH2:36][CH:27]=[CH:17][CH2:15][CH2:23][CH2:31][CH:40]=[O:56])[O:66]2)=[O:60])[O:65][C:53]([CH2:38][CH2:29][CH2:18][CH2:12][CH2:10][CH2:8][CH2:6][CH:4]=[CH:5][CH2:7][CH:9]=[CH:11][CH2:13][CH2:22][CH2:30][CH2:39][OH:55])=[O:61])[OH:58])[OH:57])[OH:59])[O:67]1 |
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