| Properties | Image |
|---|
| MNX_ID | MNXM1194209 |
 |
| reference | envipathM:...8ba695b08e16 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ZRBWXNHHFNKTAZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-26-42(56)28-19-13-9-7-5-6-8-10-16-24-35-54(61)64-45(40-62-52(59)33-22-17-11-14-20-30-46-47(65-46)32-25-29-43(57)27-4-2)41-63-53(60)34-23-18-12-15-21-31-48-50(66-48)38-51-49(67-51)37-36-44(58)39-55/h7,9,19,25,28-29,42,44-51,55-56,58H,3-6,8,10-18,20-24,26-27,30-41H2,1-2H3 |
| SMILES | CCCC(=O)C=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-26-42(56)28-19-13-9-7-5-6-8-10-16-24-35-54(61)64-45(40-62-52(59)33-22-17-11-14-20-30-46-47(65-46)32-25-29-43(57)27-4-2)41-63-53(60)34-23-18-12-15-21-31-48-50(66-48)38-51-49(67-51)37-36-44(58)39-55/h7,9,19,25,28-29,42,44-51,55-56,58H,3-6,8,10-18,20-24,26-27,30-41H2,1-2H3/b9-7?,28-19?,29-25?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:26][CH:42]([CH:28]=[CH:19][CH2:13][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:16][CH2:24][CH2:35][C:54](=[O:61])[O:64][CH:45]([CH2:40][O:62][C:52]([CH2:33][CH2:22][CH2:17][CH2:11][CH2:14][CH2:20][CH2:30][CH:46]1[CH:47]([CH2:32][CH:25]=[CH:29][C:43]([CH2:27][CH2:4][CH3:2])=[O:57])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:34][CH2:23][CH2:18][CH2:12][CH2:15][CH2:21][CH2:31][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:37][CH2:36][CH:44]([CH2:39][OH:55])[OH:58])[O:67]2)[O:66]1)=[O:60])[OH:56] |
|