| Properties | Image |
|---|
| MNX_ID | MNXM176598 |
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| reference | slm:000125198 |
| formula | C44H80O6 |
| global charge | 0 |
| mol weight | 705.118 |
| InChIKey | KAWDSBWWHMFHRT-XWYHMPKWSA-N |
| InChI | InChI=1S/C44H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-41(39-48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,41H,4-12,15,18-40H2,1-3H3/b16-13-,17-14-/t41-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-41(39-48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-14,16-17,41H,4-12,15,18-40H2,1-3H3/b16-13-,17-14-/t41-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:43](=[O:46])[O:49][CH2:40][C@H:41]([CH2:39][O:48][C:42]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:45])[O:50][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:47] |
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