| Properties | Image |
MNX_ID | MNXM178745 |
 |
reference | slm:000146634 |
formula | C53H100O6 |
global charge | 0 |
mol weight | 833.377 |
InChIKey | LQAZTPKODPBBTH-DQRAZIAOSA-N |
InChI | InChI=1S/C53H100O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-18-15-12-9-6-3/h21-22,50H,4-20,23-49H2,1-3H3/b22-21- |
SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C53H100O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-18-15-12-9-6-3/h21-22,50H,4-20,23-49H2,1-3H3/b22-21- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55] |
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