| Properties | Image |
|---|
| MNX_ID | MNXM1179056 |
 |
| reference | envipathM:...b8cdb1146f79 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | DRPFKBCNQRBISW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-10-14-23-32-46-47(64-46)33-24-15-12-17-26-35-52(58)61-40-44(63-54(60)45(57)30-22-19-21-29-43(56)38-37-42(55)28-20-11-8-5-2)41-62-53(59)36-27-18-13-16-25-34-49-51(66-49)39-50-48(65-50)31-9-6-3/h14,20,23,28,37-38,44-51,57H,4-13,15-19,21-22,24-27,29-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCC(=O)C=CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-10-14-23-32-46-47(64-46)33-24-15-12-17-26-35-52(58)61-40-44(63-54(60)45(57)30-22-19-21-29-43(56)38-37-42(55)28-20-11-8-5-2)41-62-53(59)36-27-18-13-16-25-34-49-51(66-49)39-50-48(65-50)31-9-6-3/h14,20,23,28,37-38,44-51,57H,4-13,15-19,21-22,24-27,29-36,39-41H2,1-3H3/b23-14?,28-20?,38-37?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:14]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:15][CH2:12][CH2:17][CH2:26][CH2:35][C:52](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:53]([CH2:36][CH2:27][CH2:18][CH2:13][CH2:16][CH2:25][CH2:34][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:31][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH:45]([CH2:30][CH2:22][CH2:19][CH2:21][CH2:29][C:43]([CH:38]=[CH:37][C:42]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])=[O:56])[OH:57])=[O:60])[O:64]1 |
|