| Properties | Image |
MNX_ID | MNXM178672 |
 |
reference | slm:000136937 |
formula | C51H94O6 |
global charge | 0 |
mol weight | 803.307 |
InChIKey | HEJLGACLDVGADK-YPAXQUSRSA-N |
InChI | InChI=1S/C51H94O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,48H,4-22,27-47H2,1-3H3/b25-23-,26-24- |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C51H94O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,48H,4-22,27-47H2,1-3H3/b25-23-,26-24- |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][CH:48]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:31][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54] |
|