| Properties | Image |
|---|
| MNX_ID | MNXM1187835 |
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| reference | envipathM:...6cb859fa2d49 |
| formula | C56H93O13 |
| global charge | -1 |
| mol weight | 974.347 |
| InChIKey | DGZSIOIGMZLVSA-UHFFFAOYSA-M |
| InChI | InChI=1S/C56H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-54(60)66-45(43-65-53(59)38-30-23-18-20-27-36-49-51(69-49)40-50-48(68-50)33-6-4-2)42-64-52(58)37-29-22-17-19-26-34-46-47(67-46)35-28-24-25-32-44(41-57)55(61)56(62)63/h8-9,11-12,44-51,57H,3-7,10,13-43H2,1-2H3,(H,62,63)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(CO)C(=O)C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-54(60)66-45(43-65-53(59)38-30-23-18-20-27-36-49-51(69-49)40-50-48(68-50)33-6-4-2)42-64-52(58)37-29-22-17-19-26-34-46-47(67-46)35-28-24-25-32-44(41-57)55(61)56(62)63/h8-9,11-12,44-51,57H,3-7,10,13-43H2,1-2H3,(H,62,63)/b9-8?,12-11?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:54](=[O:60])[O:66][CH:45]([CH2:42][O:64][C:52]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:28][CH2:24][CH2:25][CH2:32][CH:44]([CH2:41][OH:57])[C:55]([C:56]([OH:62])=[O:63])=[O:61])[O:67]1)=[O:58])[CH2:43][O:65][C:53]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:68]2)[O:69]1)=[O:59] |
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