| Properties | Image |
|---|
| MNX_ID | MNXM190428 |
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| reference | slm:000216804 |
| formula | C61H114O6 |
| global charge | 0 |
| mol weight | 943.577 |
| InChIKey | VFSYIMBZRMANJC-BAUXOAFCSA-N |
| InChI | InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-25-23-20-17-14-11-8-5-2/h20,23-24,26,58H,4-19,21-22,25,27-57H2,1-3H3/b23-20+,26-24-/t58-/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H114O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-25-23-20-17-14-11-8-5-2/h20,23-24,26,58H,4-19,21-22,25,27-57H2,1-3H3/b23-20+,26-24-/t58-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][C@@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:25]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63] |
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