| Properties | Image |
|---|
| MNX_ID | MNXM193078 |
 |
| reference | slm:000148536 |
| formula | C54H94O6 |
| global charge | 0 |
| mol weight | 839.34 |
| InChIKey | BRRFBXDZQSFAJP-VDJZFGHASA-N |
| InChI | InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,51H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-50H2,1-3H3/b10-7-,19-16-,23-20+,26-24-,31-29-/t51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-28-25-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-24,26,29,31,51H,4-6,8-9,11-15,17-18,21-22,25,27-28,30,32-50H2,1-3H3/b10-7-,19-16-,23-20+,26-24-,31-29-/t51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32][CH2:30][CH2:28][CH2:25]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57] |
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