| Properties | Image |
|---|
| MNX_ID | MNXM1179557 |
 |
| reference | envipathM:...7a0001582317 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | JKVWCNNQMQUWEG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-34-50-51(67-50)39-47(59)45(57)32-22-16-14-18-25-37-52(60)63-40-44(65-53(61)38-26-17-13-11-9-8-10-12-15-21-30-42(55)28-5-2)41-64-54(62)46(58)33-23-19-20-24-35-48-49(66-48)36-27-31-43(56)29-6-3/h10,12,21,27,30-31,42-51,55-59H,4-9,11,13-20,22-26,28-29,32-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-34-50-51(67-50)39-47(59)45(57)32-22-16-14-18-25-37-52(60)63-40-44(65-53(61)38-26-17-13-11-9-8-10-12-15-21-30-42(55)28-5-2)41-64-54(62)46(58)33-23-19-20-24-35-48-49(66-48)36-27-31-43(56)29-6-3/h10,12,21,27,30-31,42-51,55-59H,4-9,11,13-20,22-26,28-29,32-41H2,1-3H3/b12-10?,30-21?,31-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:34][CH:50]1[CH:51]([CH2:39][CH:47]([CH:45]([CH2:32][CH2:22][CH2:16][CH2:14][CH2:18][CH2:25][CH2:37][C:52](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:54]([CH:46]([CH2:33][CH2:23][CH2:19][CH2:20][CH2:24][CH2:35][CH:48]2[CH:49]([CH2:36][CH:27]=[CH:31][CH:43]([CH2:29][CH2:6][CH3:3])[OH:56])[O:66]2)[OH:58])=[O:62])[O:65][C:53]([CH2:38][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:21]=[CH:30][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])=[O:61])[OH:57])[OH:59])[O:67]1 |
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