| Properties | Image |
|---|
| MNX_ID | MNXM351107 |
 |
| reference | slm:000134232 |
| formula | C50H94O6 |
| global charge | 0 |
| mol weight | 791.296 |
| InChIKey | NWSOKCJGRXKBBA-FHSFKVEYSA-N |
| InChI | InChI=1S/C50H94O6/c1-5-7-9-11-13-15-16-17-18-19-22-27-31-35-39-43-50(53)56-47(44-54-48(51)41-37-33-29-24-14-12-10-8-6-2)45-55-49(52)42-38-34-30-26-23-20-21-25-28-32-36-40-46(3)4/h22,27,46-47H,5-21,23-26,28-45H2,1-4H3/b27-22-/t47-/m1/s1 |
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H94O6/c1-5-7-9-11-13-15-16-17-18-19-22-27-31-35-39-43-50(53)56-47(44-54-48(51)41-37-33-29-24-14-12-10-8-6-2)45-55-49(52)42-38-34-30-26-23-20-21-25-28-32-36-40-46(3)4/h22,27,46-47H,5-21,23-26,28-45H2,1-4H3/b27-22-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:22]=[CH:27]\[CH2:31][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][CH2:24][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][CH2:30][CH2:26][CH2:23][CH2:20][CH2:21][CH2:25][CH2:28][CH2:32][CH2:36][CH2:40][CH:46]([CH3:3])[CH3:4])=[O:52] |
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