| Properties | Image |
|---|
| MNX_ID | MNXM1169962 |
 |
| reference | envipathM:...95ceb3c6fbdd |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PGFIZEMLOQKSPR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(62)66-44(42-64-52(61)38-29-22-18-20-26-34-46(57)45(56)33-25-19-8-6-4-2)43-65-54(63)48(59)36-27-23-24-28-37-50-51(67-50)41-49(60)47(58)35-31-32-40-55/h9-10,12-13,19,25,40,44-51,56-60H,3-8,11,14-18,20-24,26-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(62)66-44(42-64-52(61)38-29-22-18-20-26-34-46(57)45(56)33-25-19-8-6-4-2)43-65-54(63)48(59)36-27-23-24-28-37-50-51(67-50)41-49(60)47(58)35-31-32-40-55/h9-10,12-13,19,25,40,44-51,56-60H,3-8,11,14-18,20-24,26-39,41-43H2,1-2H3/b10-9?,13-12?,25-19?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:39][C:53](=[O:62])[O:66][CH:44]([CH2:42][O:64][C:52]([CH2:38][CH2:29][CH2:22][CH2:18][CH2:20][CH2:26][CH2:34][CH:46]([CH:45]([CH2:33][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:57])=[O:61])[CH2:43][O:65][C:54]([CH:48]([CH2:36][CH2:27][CH2:23][CH2:24][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:41][CH:49]([CH:47]([CH2:35][CH2:31][CH2:32][CH:40]=[O:55])[OH:58])[OH:60])[O:67]1)[OH:59])=[O:63] |
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