| Properties | Image |
|---|
| MNX_ID | MNXM1183678 |
 |
| reference | envipathM:...bf7f51421cfa |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | XMYABMORGVRSBN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-22-30-39-53(60)64-44(42-63-54(61)47(58)35-27-21-20-26-34-46(57)45(56)33-25-15-11-8-5-2)41-62-52(59)38-29-18-14-17-28-37-49-51(66-49)40-50-48(65-50)36-9-6-3/h12-13,23,31,43-44,46-51,55,57-58H,4-11,14-22,24-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-22-30-39-53(60)64-44(42-63-54(61)47(58)35-27-21-20-26-34-46(57)45(56)33-25-15-11-8-5-2)41-62-52(59)38-29-18-14-17-28-37-49-51(66-49)40-50-48(65-50)36-9-6-3/h12-13,23,31,43-44,46-51,55,57-58H,4-11,14-22,24-30,32-42H2,1-3H3/b13-12?,31-23?/t43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][CH:43]([CH2:32][CH2:24][CH2:19][CH2:22][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:41][O:62][C:52]([CH2:38][CH2:29][CH2:18][CH2:14][CH2:17][CH2:28][CH2:37][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:59])[CH2:42][O:63][C:54]([CH:47]([CH2:35][CH2:27][CH2:21][CH2:20][CH2:26][CH2:34][CH:46]([C:45]([CH2:33][CH2:25][CH2:15][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[OH:57])[OH:58])=[O:61])[OH:55] |
|