| Properties | Image |
|---|
| MNX_ID | MNXM1174294 |
 |
| reference | envipathM:...3206398f5ba0 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | DNEXNYYVUGWUMD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-12-19-28-46-47(65-46)29-20-13-10-15-22-31-52(59)62-39-43(64-54(61)33-24-17-18-26-44(57)45(58)37-36-42(56)35-34-41(55)25-6-3)40-63-53(60)32-23-16-11-14-21-30-49-51(67-49)38-50-48(66-50)27-8-5-2/h12,19,34-37,41-51,55-58H,4-11,13-18,20-33,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-12-19-28-46-47(65-46)29-20-13-10-15-22-31-52(59)62-39-43(64-54(61)33-24-17-18-26-44(57)45(58)37-36-42(56)35-34-41(55)25-6-3)40-63-53(60)32-23-16-11-14-21-30-49-51(67-49)38-50-48(66-50)27-8-5-2/h12,19,34-37,41-51,55-58H,4-11,13-18,20-33,38-40H2,1-3H3/b19-12?,35-34?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:19][CH2:28][CH:46]1[CH:47]([CH2:29][CH2:20][CH2:13][CH2:10][CH2:15][CH2:22][CH2:31][C:52](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:53]([CH2:32][CH2:23][CH2:16][CH2:11][CH2:14][CH2:21][CH2:30][CH:49]2[CH:51]([CH2:38][CH:50]3[CH:48]([CH2:27][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:64][C:54]([CH2:33][CH2:24][CH2:17][CH2:18][CH2:26][CH:44]([CH:45]([CH:37]=[CH:36][CH:42]([CH:35]=[CH:34][CH:41]([CH2:25][CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])[OH:57])=[O:61])[O:65]1 |
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