| Properties | Image |
|---|
| MNX_ID | MNXM330303 |
 |
| reference | slm:000132746 |
| formula | C50H88O6 |
| global charge | 0 |
| mol weight | 785.248 |
| InChIKey | JTDXWDNTULBKKH-GFOOAHLJSA-N |
| InChI | InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,29,32,47H,4-15,17-18,21-22,26-28,30-31,33-46H2,1-3H3/b19-16-,23-20-,25-24-,32-29-/t47-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-20,23-25,29,32,47H,4-15,17-18,21-22,26-28,30-31,33-46H2,1-3H3/b19-16-,23-20-,25-24-,32-29-/t47-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:27]/[CH:29]=[CH:32]\[CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][C@@H:47]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51])[CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:52] |
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