| Properties | Image |
|---|
| MNX_ID | MNXM1172685 |
 |
| reference | envipathM:...6765040a819e |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | FIBFWARVPDSCKG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-17-26-35-48-49(65-48)36-28-23-22-25-34-46(57)54(61)63-42-44(64-53(60)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-52(59)38-29-21-16-19-27-37-50-51(66-50)40-47(58)45(56)33-8-5-2/h17,24,26,32,43-44,46-51,55,57-58H,4-16,18-23,25,27-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-17-26-35-48-49(65-48)36-28-23-22-25-34-46(57)54(61)63-42-44(64-53(60)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-52(59)38-29-21-16-19-27-37-50-51(66-50)40-47(58)45(56)33-8-5-2/h17,24,26,32,43-44,46-51,55,57-58H,4-16,18-23,25,27-31,33-42H2,1-3H3/b26-17?,32-24?/t43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:28][CH2:23][CH2:22][CH2:25][CH2:34][CH:46]([C:54](=[O:61])[O:63][CH2:42][CH:44]([CH2:41][O:62][C:52]([CH2:38][CH2:29][CH2:21][CH2:16][CH2:19][CH2:27][CH2:37][CH:50]2[CH:51]([CH2:40][CH:47]([C:45]([CH2:33][CH2:8][CH2:5][CH3:2])=[O:56])[OH:58])[O:66]2)=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:18][CH:24]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])[O:65]1 |
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