| Properties | Image |
|---|
| MNX_ID | MNXM1191153 |
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| reference | envipathM:...c48e6fc54079 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YKKSAKJOGCWWNJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-20-26-32-46(58)54(62)65-44(42-64-53(61)36-30-24-18-22-28-34-49-48(66-49)33-27-19-8-6-4-2)41-63-52(60)35-29-23-17-21-25-31-45(57)47(59)39-51-50(67-51)38-37-43(56)40-55/h9-10,12-13,19,27,43-45,47-51,55-57,59H,3-8,11,14-18,20-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCC(O)CO)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-20-26-32-46(58)54(62)65-44(42-64-53(61)36-30-24-18-22-28-34-49-48(66-49)33-27-19-8-6-4-2)41-63-52(60)35-29-23-17-21-25-31-45(57)47(59)39-51-50(67-51)38-37-43(56)40-55/h9-10,12-13,19,27,43-45,47-51,55-57,59H,3-8,11,14-18,20-26,28-42H2,1-2H3/b10-9?,13-12?,27-19?/t43?,44?,45?,47?,48?,49?,50?,51? |
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| 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][CH2:20][CH2:26][CH2:32][C:46]([C:54](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:52]([CH2:35][CH2:29][CH2:23][CH2:17][CH2:21][CH2:25][CH2:31][CH:45]([CH:47]([CH2:39][CH:51]1[CH:50]([CH2:38][CH2:37][CH:43]([CH2:40][OH:55])[OH:56])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:53]([CH2:36][CH2:30][CH2:24][CH2:18][CH2:22][CH2:28][CH2:34][CH:49]1[CH:48]([CH2:33][CH:27]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:61])=[O:58] |
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