| Properties | Image |
|---|
| MNX_ID | MNXM1137943 |
 |
| reference | envipathM:...e5ad4c42c06d |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | RVKHVWGTQVACNH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-23-31-45(57)54(62)46(58)32-24-17-14-20-26-35-51(59)63-40-44(65-53(61)37-28-19-13-11-10-12-16-22-30-43(56)38-42(55)29-6-3)41-64-52(60)36-27-21-15-18-25-34-48-50(67-48)39-49-47(66-49)33-8-5-2/h16,22-23,31,43-50,54,56-58,62H,4-15,17-21,24-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC(O)CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-23-31-45(57)54(62)46(58)32-24-17-14-20-26-35-51(59)63-40-44(65-53(61)37-28-19-13-11-10-12-16-22-30-43(56)38-42(55)29-6-3)41-64-52(60)36-27-21-15-18-25-34-48-50(67-48)39-49-47(66-49)33-8-5-2/h16,22-23,31,43-50,54,56-58,62H,4-15,17-21,24-30,32-41H2,1-3H3/b22-16?,31-23?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:23]=[CH:31][CH:45]([CH:54]([CH:46]([CH2:32][CH2:24][CH2:17][CH2:14][CH2:20][CH2:26][CH2:35][C:51](=[O:59])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:52]([CH2:36][CH2:27][CH2:21][CH2:15][CH2:18][CH2:25][CH2:34][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:60])[O:65][C:53]([CH2:37][CH2:28][CH2:19][CH2:13][CH2:11][CH2:10][CH2:12][CH:16]=[CH:22][CH2:30][CH:43]([CH2:38][C:42]([CH2:29][CH2:6][CH3:3])=[O:55])[OH:56])=[O:61])[OH:58])[OH:62])[OH:57] |
|