| Properties | Image |
|---|
| MNX_ID | MNXM331249 |
 |
| reference | slm:000197042 |
| formula | C59H112O6 |
| global charge | 0 |
| mol weight | 917.539 |
| InChIKey | PYPQFNVNJHYVAF-WFMDLDEWSA-N |
| InChI | InChI=1S/C59H112O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-41-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-39-18-15-12-9-6-3)54-63-57(60)51-48-45-42-40-37-35-22-20-17-14-11-8-5-2/h20,22,56H,4-19,21,23-55H2,1-3H3/b22-20-/t56-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H112O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-41-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-39-18-15-12-9-6-3)54-63-57(60)51-48-45-42-40-37-35-22-20-17-14-11-8-5-2/h20,22,56H,4-19,21,23-55H2,1-3H3/b22-20-/t56-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:40][CH2:37][CH2:35]/[CH:22]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:39][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62] |
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