| Properties | Image |
|---|
| MNX_ID | MNXM1183985 |
 |
| reference | envipathM:...1dd19e9c26e0 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | WVNNTGSHLKYUCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-17-27-36-49-54(66-49)46(57)34-25-22-23-29-38-52(60)63-42-44(64-53(61)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-51(59)37-28-21-16-19-26-35-48-50(65-48)40-47(58)45(56)33-8-5-2/h12,14,17,24,27,32,43-50,54-58H,4-11,13,15-16,18-23,25-26,28-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-17-27-36-49-54(66-49)46(57)34-25-22-23-29-38-52(60)63-42-44(64-53(61)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-51(59)37-28-21-16-19-26-35-48-50(65-48)40-47(58)45(56)33-8-5-2/h12,14,17,24,27,32,43-50,54-58H,4-11,13,15-16,18-23,25-26,28-31,33-42H2,1-3H3/b14-12?,27-17?,32-24?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:27][CH2:36][CH:49]1[CH:54]([CH:46]([CH2:34][CH2:25][CH2:22][CH2:23][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH2:42][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:21][CH2:16][CH2:19][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:40][CH:47]([CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])[OH:58])[O:65]2)=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:61])[OH:57])[O:66]1 |
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