| Properties | Image |
|---|
| MNX_ID | MNXM331637 |
 |
| reference | slm:000134271 |
| formula | C50H94O6 |
| global charge | 0 |
| mol weight | 791.296 |
| InChIKey | DSLQVGFVRBTFHU-LXLQXRLYSA-N |
| InChI | InChI=1S/C50H94O6/c1-5-7-9-11-13-15-17-19-20-22-24-26-30-35-39-43-50(53)56-47(45-55-49(52)42-38-34-31-27-28-32-36-40-46(3)4)44-54-48(51)41-37-33-29-25-23-21-18-16-14-12-10-8-6-2/h16,18,46-47H,5-15,17,19-45H2,1-4H3/b18-16-/t47-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H94O6/c1-5-7-9-11-13-15-17-19-20-22-24-26-30-35-39-43-50(53)56-47(45-55-49(52)42-38-34-31-27-28-32-36-40-46(3)4)44-54-48(51)41-37-33-29-25-23-21-18-16-14-12-10-8-6-2/h16,18,46-47H,5-15,17,19-45H2,1-4H3/b18-16-/t47-/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][CH2:20][CH2:22][CH2:24][CH2:26][CH2:30][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][C@H:47]([CH2:44][O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:23][CH2:21]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:51])[CH2:45][O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH:46]([CH3:3])[CH3:4])=[O:52] |
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