| Properties | Image |
|---|
| MNX_ID | MNXM1182702 |
 |
| reference | envipathM:...284a652714ad |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FFUDZXXFXQIETI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-15-24-34-47-48(66-47)35-25-17-14-19-26-36-51(59)63-41-44(65-53(61)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)42-64-52(60)37-27-21-20-23-32-45(57)54(62)46(58)40-50-49(67-50)33-6-4-2/h10,12,15,22,24,30,43-45,47-50,54-57,62H,3-9,11,13-14,16-21,23,25-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(=O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-15-24-34-47-48(66-47)35-25-17-14-19-26-36-51(59)63-41-44(65-53(61)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)42-64-52(60)37-27-21-20-23-32-45(57)54(62)46(58)40-50-49(67-50)33-6-4-2/h10,12,15,22,24,30,43-45,47-50,54-57,62H,3-9,11,13-14,16-21,23,25-29,31-42H2,1-2H3/b12-10?,24-15?,30-22?/t43?,44?,45?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:15]=[CH:24][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:25][CH2:17][CH2:14][CH2:19][CH2:26][CH2:36][C:51](=[O:59])[O:63][CH2:41][CH:44]([CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:21][CH2:20][CH2:23][CH2:32][CH:45]([CH:54]([C:46]([CH2:40][CH:50]2[CH:49]([CH2:33][CH2:6][CH2:4][CH3:2])[O:67]2)=[O:58])[OH:62])[OH:57])=[O:60])[O:65][C:53]([CH2:38][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:30][CH:43]([CH2:31][CH2:29][CH2:39][OH:55])[OH:56])=[O:61])[O:66]1 |
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