| Properties | Image |
MNX_ID | MNXM362018 |
 |
reference | slm:000136642 |
formula | C51H94O6 |
global charge | 0 |
mol weight | 803.307 |
InChIKey | JKZIKIXTBOFIFX-BQZCEHANSA-N |
InChI | InChI=1S/C51H94O6/c1-5-7-9-11-13-15-17-19-21-22-26-30-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-31-28-24-25-29-33-37-41-47(3)4)57-51(54)44-40-36-32-27-23-20-18-16-14-12-10-8-6-2/h10,12,16,18,47-48H,5-9,11,13-15,17,19-46H2,1-4H3/b12-10-,18-16-/t48-/m1/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C51H94O6/c1-5-7-9-11-13-15-17-19-21-22-26-30-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-31-28-24-25-29-33-37-41-47(3)4)57-51(54)44-40-36-32-27-23-20-18-16-14-12-10-8-6-2/h10,12,16,18,47-48H,5-9,11,13-15,17,19-46H2,1-4H3/b12-10-,18-16-/t48-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][C:49](=[O:52])[O:55][CH2:45][C@H:48]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:28][CH2:24][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH:47]([CH3:3])[CH3:4])=[O:53])[O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:27][CH2:23][CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:54] |
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