| Properties | Image |
|---|
| MNX_ID | MNXM192326 |
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| reference | slm:000206221 |
| formula | C60H112O6 |
| global charge | 0 |
| mol weight | 929.55 |
| InChIKey | PMSWDYQKJFHNFY-LKASKAKRSA-N |
| InChI | InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h20,23,38,41,57H,4-19,21-22,24-37,39-40,42-56H2,1-3H3/b23-20+,41-38-/t57-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h20,23,38,41,57H,4-19,21-22,24-37,39-40,42-56H2,1-3H3/b23-20+,41-38-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][C@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62] |
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