| Properties | Image |
|---|
| MNX_ID | MNXM1197851 |
 |
| reference | envipathM:...560385736a15 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | NCNKPCDNVKIGRA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-30-43(56)32-22-14-9-7-5-6-8-10-18-28-38-53(61)65-44(41-63-51(59)36-26-19-11-15-23-33-47-48(66-47)34-24-17-13-21-29-39-55)42-64-52(60)37-27-20-12-16-25-35-49-50(67-49)40-46(58)54(62)45(57)31-4-2/h7,9,17,22,24,32,44-50,54-55,57-58,62H,3-6,8,10-16,18-21,23,25-31,33-42H2,1-2H3 |
| SMILES | CCCC(=O)C=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-30-43(56)32-22-14-9-7-5-6-8-10-18-28-38-53(61)65-44(41-63-51(59)36-26-19-11-15-23-33-47-48(66-47)34-24-17-13-21-29-39-55)42-64-52(60)37-27-20-12-16-25-35-49-50(67-49)40-46(58)54(62)45(57)31-4-2/h7,9,17,22,24,32,44-50,54-55,57-58,62H,3-6,8,10-16,18-21,23,25-31,33-42H2,1-2H3/b9-7?,24-17?,32-22?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:30][C:43]([CH:32]=[CH:22][CH2:14][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:18][CH2:28][CH2:38][C:53](=[O:61])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:19][CH2:11][CH2:15][CH2:23][CH2:33][CH:47]1[CH:48]([CH2:34][CH:24]=[CH:17][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:66]1)=[O:59])[CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:20][CH2:12][CH2:16][CH2:25][CH2:35][CH:49]1[CH:50]([CH2:40][CH:46]([CH:54]([CH:45]([CH2:31][CH2:4][CH3:2])[OH:57])[OH:62])[OH:58])[O:67]1)=[O:60])=[O:56] |
|