| Properties | Image |
|---|
| MNX_ID | MNXM1185452 |
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| reference | envipathM:...ed7ff3ffb825 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | UBBWLQUPSQQHET-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-26-34-45(57)53(61)65-42(40-63-51(59)38-31-24-20-23-29-37-49-50(67-49)39-46(58)43(55)32-9-6-3)41-64-54(62)52(60)44(56)33-27-25-30-36-48-47(66-48)35-28-21-11-8-5-2/h12-13,15-16,21,28,42-50,55-58H,4-11,14,17-20,22-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)COC(=O)C(=O)C(O)CCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-26-34-45(57)53(61)65-42(40-63-51(59)38-31-24-20-23-29-37-49-50(67-49)39-46(58)43(55)32-9-6-3)41-64-54(62)52(60)44(56)33-27-25-30-36-48-47(66-48)35-28-21-11-8-5-2/h12-13,15-16,21,28,42-50,55-58H,4-11,14,17-20,22-27,29-41H2,1-3H3/b13-12?,16-15?,28-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:26][CH2:34][CH:45]([C:53](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:29][CH2:37][CH:49]1[CH:50]([CH2:39][CH:46]([CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:67]1)=[O:59])[CH2:41][O:64][C:54]([C:52]([CH:44]([CH2:33][CH2:27][CH2:25][CH2:30][CH2:36][CH:48]1[CH:47]([CH2:35][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:60])=[O:62])[OH:57] |
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