| Properties | Image |
|---|
| MNX_ID | MNXM1170310 |
 |
| reference | envipathM:...138df535f7a4 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | QJTNWVQWMQKSSE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(61)65-44(42-63-51(59)38-31-25-21-23-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-52(60)39-32-27-26-30-36-47(57)54(62)48(58)41-50-49(66-50)37-9-6-3/h12-13,15-16,22,28,44-45,47,49-50,54-55,57,62H,4-11,14,17-21,23-27,29-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCCC(O)C(O)C(=O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(61)65-44(42-63-51(59)38-31-25-21-23-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-52(60)39-32-27-26-30-36-47(57)54(62)48(58)41-50-49(66-50)37-9-6-3/h12-13,15-16,22,28,44-45,47,49-50,54-55,57,62H,4-11,14,17-21,23-27,29-43H2,1-3H3/b13-12?,16-15?,28-22?/t44?,45?,47?,49?,50?,54? |
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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][CH2:20][CH2:24][CH2:33][CH2:40][C:53](=[O:61])[O:65][CH:44]([CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:25][CH2:21][CH2:23][CH2:29][CH2:35][C:46]([CH:45]([CH2:34][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:59])[CH2:43][O:64][C:52]([CH2:39][CH2:32][CH2:27][CH2:26][CH2:30][CH2:36][CH:47]([CH:54]([C:48]([CH2:41][CH:50]1[CH:49]([CH2:37][CH2:9][CH2:6][CH3:3])[O:66]1)=[O:58])[OH:62])[OH:57])=[O:60] |
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