| Properties | Image |
|---|
| MNX_ID | MNXM331556 |
 |
| reference | slm:000152585 |
| formula | C54H102O6 |
| global charge | 0 |
| mol weight | 847.404 |
| InChIKey | VSGRGDOCZNUZAQ-FECCDXIYSA-N |
| InChI | InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/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][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][C@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56] |
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