| Properties | Image |
|---|
| MNX_ID | MNXM437204 |
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| reference | slm:000139719 |
| formula | C53H96O5 |
| global charge | 0 |
| mol weight | 813.346 |
| InChIKey | BAWSDXCITBMUFH-SAMZCZMDSA-N |
| InChI | InChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-25-26-27-28-30-31-34-37-40-43-46-52(54)57-50-51(49-56-48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H96O5/c1-4-7-10-13-16-19-22-25-26-27-28-30-31-34-37-40-43-46-52(54)57-50-51(49-56-48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,28,30,51H,4-15,17-18,21-22,24,27,29,31-50H2,1-3H3/b19-16-,23-20-,26-25-,30-28-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:54])[O:57][CH2:50][C@@H:51]([CH2:49][O:56][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[O:58][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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