| Properties | Image |
|---|
| MNX_ID | MNXM1172303 |
 |
| reference | envipathM:...453f42bad9b5 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | HTRCSOIVEGERGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-23-34-46-47(64-46)35-24-12-10-13-26-37-52(58)61-40-44(63-53(59)38-27-17-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)41-62-54(60)45(57)32-22-15-16-25-36-49-51(66-49)39-50-48(65-50)33-8-5-2/h11,20-21,23,29,31,43-51,56-57H,4-10,12-19,22,24-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-23-34-46-47(64-46)35-24-12-10-13-26-37-52(58)61-40-44(63-53(59)38-27-17-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)41-62-54(60)45(57)32-22-15-16-25-36-49-51(66-49)39-50-48(65-50)33-8-5-2/h11,20-21,23,29,31,43-51,56-57H,4-10,12-19,22,24-28,30,32-41H2,1-3H3/b23-11?,29-20?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:23][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:24][CH2:12][CH2:10][CH2:13][CH2:26][CH2:37][C:52](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:54]([CH:45]([CH2:32][CH2:22][CH2:15][CH2:16][CH2:25][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)[OH:57])=[O:60])[O:63][C:53]([CH2:38][CH2:27][CH2:17][CH2:14][CH2:19][CH2:30][CH:43]([CH:31]=[CH:21][CH2:18][CH:20]=[CH:29][C:42]([CH2:28][CH2:6][CH3:3])=[O:55])[OH:56])=[O:59])[O:64]1 |
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