| Properties | Image |
|---|
| MNX_ID | MNXM185757 |
 |
| reference | slm:000225769 |
| formula | C62H114O6 |
| global charge | 0 |
| mol weight | 955.588 |
| InChIKey | PFAPWMQQJFUKCO-JLPMMUJQSA-N |
| InChI | InChI=1S/C62H114O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-41-45-49-53-60(63)66-56-59(57-67-61(64)54-50-46-43-39-40-44-48-52-58(3)4)68-62(65)55-51-47-42-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-2/h14,16,20,22,27,30,58-59H,5-13,15,17-19,21,23-26,28-29,31-57H2,1-4H3/b16-14-,22-20-,30-27-/t59-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C62H114O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-41-45-49-53-60(63)66-56-59(57-67-61(64)54-50-46-43-39-40-44-48-52-58(3)4)68-62(65)55-51-47-42-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-2/h14,16,20,22,27,30,58-59H,5-13,15,17-19,21,23-26,28-29,31-57H2,1-4H3/b16-14-,22-20-,30-27-/t59-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][C:60](=[O:63])[O:66][CH2:56][C@@H:59]([CH2:57][O:67][C:61]([CH2:54][CH2:50][CH2:46][CH2:43][CH2:39][CH2:40][CH2:44][CH2:48][CH2:52][CH:58]([CH3:3])[CH3:4])=[O:64])[O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:42][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:27]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:65] |
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