| Properties | Image |
|---|
| MNX_ID | MNXM1193565 |
 |
| reference | envipathM:...bf59cb47f9b8 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | NGYXSUCPYDZXQL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-54(63)66-45(43-65-53(62)36-30-25-19-22-28-34-51-50(67-51)33-27-20-8-6-4-2)42-64-52(61)35-29-24-18-21-26-32-46(57)48(59)40-49(60)47(58)39-38-44(56)41-55/h9-10,12-13,20,27,41,44-51,56-60H,3-8,11,14-19,21-26,28-40,42-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)CCC(O)C=O)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-54(63)66-45(43-65-53(62)36-30-25-19-22-28-34-51-50(67-51)33-27-20-8-6-4-2)42-64-52(61)35-29-24-18-21-26-32-46(57)48(59)40-49(60)47(58)39-38-44(56)41-55/h9-10,12-13,20,27,41,44-51,56-60H,3-8,11,14-19,21-26,28-40,42-43H2,1-2H3/b10-9?,13-12?,27-20?/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][CH2:23][CH2:31][CH2:37][C:54](=[O:63])[O:66][CH:45]([CH2:42][O:64][C:52]([CH2:35][CH2:29][CH2:24][CH2:18][CH2:21][CH2:26][CH2:32][CH:46]([CH:48]([CH2:40][CH:49]([CH:47]([CH2:39][CH2:38][CH:44]([CH:41]=[O:55])[OH:56])[OH:58])[OH:60])[OH:59])[OH:57])=[O:61])[CH2:43][O:65][C:53]([CH2:36][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:34][CH:51]1[CH:50]([CH2:33][CH:27]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)=[O:62] |
|