| Properties | Image |
|---|
| MNX_ID | MNXM1196921 |
 |
| reference | envipathM:...6175494835d1 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | NJTBCIILBAEYMA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-13-21-30-46-47(64-46)31-22-15-11-17-24-33-52(58)61-40-45(63-54(60)35-26-19-10-14-20-28-43(56)38-44(57)37-36-42(55)27-6-3)41-62-53(59)34-25-18-12-16-23-32-49-51(66-49)39-50-48(65-50)29-8-5-2/h13,21,36-37,42-43,45-51,55-56H,4-12,14-20,22-35,38-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC(O)CC(=O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-13-21-30-46-47(64-46)31-22-15-11-17-24-33-52(58)61-40-45(63-54(60)35-26-19-10-14-20-28-43(56)38-44(57)37-36-42(55)27-6-3)41-62-53(59)34-25-18-12-16-23-32-49-51(66-49)39-50-48(65-50)29-8-5-2/h13,21,36-37,42-43,45-51,55-56H,4-12,14-20,22-35,38-41H2,1-3H3/b21-13?,37-36?/t42?,43?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:13]=[CH:21][CH2:30][CH:46]1[CH:47]([CH2:31][CH2:22][CH2:15][CH2:11][CH2:17][CH2:24][CH2:33][C:52](=[O:58])[O:61][CH2:40][CH:45]([CH2:41][O:62][C:53]([CH2:34][CH2:25][CH2:18][CH2:12][CH2:16][CH2:23][CH2:32][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:29][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:35][CH2:26][CH2:19][CH2:10][CH2:14][CH2:20][CH2:28][CH:43]([CH2:38][C:44]([CH:37]=[CH:36][CH:42]([CH2:27][CH2:6][CH3:3])[OH:55])=[O:57])[OH:56])=[O:60])[O:64]1 |
|