| Properties | Image |
|---|
| MNX_ID | MNXM1138056 |
 |
| reference | envipathM:...57e8a6e78d53 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | YUDJLKQNMTYRJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-17-26-34-46-47(64-46)35-28-23-22-25-32-45(57)54(60)62-41-42(63-53(59)38-30-20-15-13-11-10-12-14-18-24-31-44(56)43(55)6-3)40-61-52(58)37-29-21-16-19-27-36-49-51(66-49)39-50-48(65-50)33-8-5-2/h12,14,17,24,26,31,42,44-51,56-57H,4-11,13,15-16,18-23,25,27-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-17-26-34-46-47(64-46)35-28-23-22-25-32-45(57)54(60)62-41-42(63-53(59)38-30-20-15-13-11-10-12-14-18-24-31-44(56)43(55)6-3)40-61-52(58)37-29-21-16-19-27-36-49-51(66-49)39-50-48(65-50)33-8-5-2/h12,14,17,24,26,31,42,44-51,56-57H,4-11,13,15-16,18-23,25,27-30,32-41H2,1-3H3/b14-12?,26-17?,31-24?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:28][CH2:23][CH2:22][CH2:25][CH2:32][CH:45]([C:54](=[O:60])[O:62][CH2:41][CH:42]([CH2:40][O:61][C:52]([CH2:37][CH2:29][CH2:21][CH2:16][CH2:19][CH2:27][CH2:36][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:58])[O:63][C:53]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:31][CH:44]([C:43]([CH2:6][CH3:3])=[O:55])[OH:56])=[O:59])[OH:57])[O:64]1 |
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