| Properties | Image |
|---|
| MNX_ID | MNXM1189560 |
 |
| reference | envipathM:...ed68745b3816 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | JHAOYKJVTUCMDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-19-28-36-48(59)54(63)66-44(42-64-52(61)38-30-23-16-20-26-34-45(56)46(57)35-27-21-18-25-32-40-55)43-65-53(62)39-31-24-17-22-29-37-50-51(67-50)41-49(60)47(58)33-6-4-2/h8-9,11-12,21,27,44-45,47-51,55-56,58-60H,3-7,10,13-20,22-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-19-28-36-48(59)54(63)66-44(42-64-52(61)38-30-23-16-20-26-34-45(56)46(57)35-27-21-18-25-32-40-55)43-65-53(62)39-31-24-17-22-29-37-50-51(67-50)41-49(60)47(58)33-6-4-2/h8-9,11-12,21,27,44-45,47-51,55-56,58-60H,3-7,10,13-20,22-26,28-43H2,1-2H3/b9-8?,12-11?,27-21?/t44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:19][CH2:28][CH2:36][CH:48]([C:54](=[O:63])[O:66][CH:44]([CH2:42][O:64][C:52]([CH2:38][CH2:30][CH2:23][CH2:16][CH2:20][CH2:26][CH2:34][CH:45]([C:46]([CH2:35][CH:27]=[CH:21][CH2:18][CH2:25][CH2:32][CH2:40][OH:55])=[O:57])[OH:56])=[O:61])[CH2:43][O:65][C:53]([CH2:39][CH2:31][CH2:24][CH2:17][CH2:22][CH2:29][CH2:37][CH:50]1[CH:51]([CH2:41][CH:49]([CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:58])[OH:60])[O:67]1)=[O:62])[OH:59] |
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