| Properties | Image |
|---|
| MNX_ID | MNXM109255 |
 |
| reference | slm:000125920 |
| formula | C45H82O6 |
| global charge | 0 |
| mol weight | 719.145 |
| InChIKey | NGJOPKIPWMIMHJ-FBRYIYLHSA-N |
| InChI | InChI=1S/C45H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-26-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-17-14-11-8-5-2/h16,19,21-22,42H,4-15,17-18,20,23-41H2,1-3H3/b19-16-,22-21-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-26-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-17-14-11-8-5-2/h16,19,21-22,42H,4-15,17-18,20,23-41H2,1-3H3/b19-16-,22-21-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][C:44](=[O:47])[O:50][CH2:41][C@@H:42]([CH2:40][O:49][C:43]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:46])[O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:48] |
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