| Properties | Image |
|---|
| MNX_ID | MNXM1173171 |
 |
| reference | envipathM:...fb9d214e0df9 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | NKYPZXXLZDGLND-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-17-26-35-46(56)47(57)36-27-19-15-22-29-38-52(60)63-42-45(65-54(62)40-31-21-14-12-13-18-25-33-44(55)32-24-11-8-5-2)43-64-53(61)39-30-23-16-20-28-37-50-51(66-50)41-49(59)48(58)34-9-6-3/h17,24-26,32-33,44-46,48,50-51,55-56,58H,4-16,18-23,27-31,34-43H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-17-26-35-46(56)47(57)36-27-19-15-22-29-38-52(60)63-42-45(65-54(62)40-31-21-14-12-13-18-25-33-44(55)32-24-11-8-5-2)43-64-53(61)39-30-23-16-20-28-37-50-51(66-50)41-49(59)48(58)34-9-6-3/h17,24-26,32-33,44-46,48,50-51,55-56,58H,4-16,18-23,27-31,34-43H2,1-3H3/b26-17?,32-24?,33-25?/t44?,45?,46?,48?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:17]=[CH:26][CH2:35][CH:46]([C:47]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:22][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH2:42][CH:45]([CH2:43][O:64][C:53]([CH2:39][CH2:30][CH2:23][CH2:16][CH2:20][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:41][C:49]([CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[OH:58])=[O:59])[O:66]1)=[O:61])[O:65][C:54]([CH2:40][CH2:31][CH2:21][CH2:14][CH2:12][CH2:13][CH2:18][CH:25]=[CH:33][CH:44]([CH:32]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:62])=[O:57])[OH:56] |
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