| Properties | Image |
|---|
| MNX_ID | MNXM1198482 |
 |
| reference | envipathM:...89632fcf1dff |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | DFQITSQABZLJQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-18-26-34-48-49(65-48)35-27-20-16-23-29-37-52(59)62-41-43(64-54(61)39-31-22-15-13-11-10-12-14-19-25-33-45(56)44(55)6-3)42-63-53(60)38-30-24-17-21-28-36-50-51(66-50)40-47(58)46(57)32-8-5-2/h12,14,18,25-26,33,43-45,48-51,55-56H,4-11,13,15-17,19-24,27-32,34-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(=O)C(=O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-18-26-34-48-49(65-48)35-27-20-16-23-29-37-52(59)62-41-43(64-54(61)39-31-22-15-13-11-10-12-14-19-25-33-45(56)44(55)6-3)42-63-53(60)38-30-24-17-21-28-36-50-51(66-50)40-47(58)46(57)32-8-5-2/h12,14,18,25-26,33,43-45,48-51,55-56H,4-11,13,15-17,19-24,27-32,34-42H2,1-3H3/b14-12?,26-18?,33-25?/t43?,44?,45?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:18]=[CH:26][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:27][CH2:20][CH2:16][CH2:23][CH2:29][CH2:37][C:52](=[O:59])[O:62][CH2:41][CH:43]([CH2:42][O:63][C:53]([CH2:38][CH2:30][CH2:24][CH2:17][CH2:21][CH2:28][CH2:36][CH:50]2[CH:51]([CH2:40][C:47]([C:46]([CH2:32][CH2:8][CH2:5][CH3:2])=[O:57])=[O:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:39][CH2:31][CH2:22][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:19][CH:25]=[CH:33][CH:45]([CH:44]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:61])[O:65]1 |
|