| Properties | Image |
|---|
| MNX_ID | MNXM361398 |
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| reference | slm:000227600 |
| formula | C62H116O6 |
| global charge | 0 |
| mol weight | 957.604 |
| InChIKey | RJEJTIRGSBPHQG-ISQCFEAUSA-N |
| InChI | InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-26-23-20-17-14-11-8-5-2/h25,27,41,44,59H,4-24,26,28-40,42-43,45-58H2,1-3H3/b27-25-,44-41-/t59-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-38-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-36-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-37-26-23-20-17-14-11-8-5-2/h25,27,41,44,59H,4-24,26,28-40,42-43,45-58H2,1-3H3/b27-25-,44-41-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:36][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65] |
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