| Properties | Image |
|---|
| MNX_ID | MNXM1196302 |
 |
| reference | envipathM:...cedc23d961c5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | GPZSSQVXVUBYAT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-15-23-32-45(57)54(62)46(58)33-24-20-21-27-37-52(60)64-42-44(65-53(61)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)41-63-51(59)36-26-19-14-17-25-35-48-50(67-48)40-49-47(66-49)34-6-4-2/h10,12,15,22-23,30,44-50,54-55,57-58,62H,3-9,11,13-14,16-21,24-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(=O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-15-23-32-45(57)54(62)46(58)33-24-20-21-27-37-52(60)64-42-44(65-53(61)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)41-63-51(59)36-26-19-14-17-25-35-48-50(67-48)40-49-47(66-49)34-6-4-2/h10,12,15,22-23,30,44-50,54-55,57-58,62H,3-9,11,13-14,16-21,24-29,31-42H2,1-2H3/b12-10?,23-15?,30-22?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:15]=[CH:23][CH2:32][CH:45]([CH:54]([CH:46]([CH2:33][CH2:24][CH2:20][CH2:21][CH2:27][CH2:37][C:52](=[O:60])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:19][CH2:14][CH2:17][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[O:65][C:53]([CH2:38][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:30][C:43]([CH2:31][CH2:29][CH2:39][OH:55])=[O:56])=[O:61])[OH:58])[OH:62])[OH:57] |
|