| Properties | Image |
|---|
| MNX_ID | MNXM1173972 |
 |
| reference | envipathM:...26ac09c6d7cd |
| formula | C56H93O13 |
| global charge | -1 |
| mol weight | 974.347 |
| InChIKey | NHEJJLISVDZZSO-UHFFFAOYSA-M |
| InChI | InChI=1S/C56H94O13/c1-4-6-8-18-27-35-46-47(67-46)36-29-24-23-26-33-45(57)56(63)65-42-44(41-64-52(58)38-30-22-17-20-28-37-49-51(69-49)40-50-48(68-50)34-7-5-2)66-53(59)39-31-21-16-14-12-10-9-11-13-15-19-25-32-43(3)54(60)55(61)62/h9,11,18,27,43-51,57H,4-8,10,12-17,19-26,28-42H2,1-3H3,(H,61,62)/p-1 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C56H94O13/c1-4-6-8-18-27-35-46-47(67-46)36-29-24-23-26-33-45(57)56(63)65-42-44(41-64-52(58)38-30-22-17-20-28-37-49-51(69-49)40-50-48(68-50)34-7-5-2)66-53(59)39-31-21-16-14-12-10-9-11-13-15-19-25-32-43(3)54(60)55(61)62/h9,11,18,27,43-51,57H,4-8,10,12-17,19-26,28-42H2,1-3H3,(H,61,62)/b11-9?,27-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:18]=[CH:27][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:29][CH2:24][CH2:23][CH2:26][CH2:33][CH:45]([C:56](=[O:63])[O:65][CH2:42][CH:44]([CH2:41][O:64][C:52]([CH2:38][CH2:30][CH2:22][CH2:17][CH2:20][CH2:28][CH2:37][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:34][CH2:7][CH2:5][CH3:2])[O:68]3)[O:69]2)=[O:58])[O:66][C:53]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:9]=[CH:11][CH2:13][CH2:15][CH2:19][CH2:25][CH2:32][CH:43]([CH3:3])[C:54]([C:55]([OH:61])=[O:62])=[O:60])=[O:59])[OH:57])[O:67]1 |
|