| Properties | Image |
|---|
| MNX_ID | MNXM1175336 |
 |
| reference | envipathM:...1443d805a3b2 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | OIELPYFDDRKZKN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-19-27-35-48-49(65-48)36-29-24-23-26-34-46(57)54(61)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-52(59)38-30-22-18-20-28-37-50-51(66-50)41-47(58)45(56)33-6-4-2/h13,15,19,27,40,44-51,56-58H,3-12,14,16-18,20-26,28-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCCCCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-19-27-35-48-49(65-48)36-29-24-23-26-34-46(57)54(61)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-52(59)38-30-22-18-20-28-37-50-51(66-50)41-47(58)45(56)33-6-4-2/h13,15,19,27,40,44-51,56-58H,3-12,14,16-18,20-26,28-39,41-43H2,1-2H3/b15-13?,27-19?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:29][CH2:24][CH2:23][CH2:26][CH2:34][CH:46]([C:54](=[O:61])[O:63][CH2:43][CH:44]([CH2:42][O:62][C:52]([CH2:38][CH2:30][CH2:22][CH2:18][CH2:20][CH2:28][CH2:37][CH:50]2[CH:51]([CH2:41][CH:47]([CH:45]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:56])[OH:58])[O:66]2)=[O:59])[O:64][C:53]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH:40]=[O:55])=[O:60])[OH:57])[O:65]1 |
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