| Properties | Image |
|---|
| MNX_ID | MNXM191566 |
 |
| reference | slm:000199694 |
| formula | C60H104O6 |
| global charge | 0 |
| mol weight | 921.486 |
| InChIKey | LXBURBNEQWZDOH-SCCHPKCZSA-N |
| InChI | InChI=1S/C60H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-36-41-45-49-53-60(63)66-57(55-65-59(62)52-48-44-40-37-33-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-29-27-20-18-16-14-12-10-8-6-2/h7,9,13,15-16,18-19,21,23-24,26,28,56-57H,5-6,8,10-12,14,17,20,22,25,27,29-55H2,1-4H3/b9-7-,15-13-,18-16+,21-19-,24-23-,28-26-/t57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C60H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-36-41-45-49-53-60(63)66-57(55-65-59(62)52-48-44-40-37-33-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-29-27-20-18-16-14-12-10-8-6-2/h7,9,13,15-16,18-19,21,23-24,26,28,56-57H,5-6,8,10-12,14,17,20,22,25,27,29-55H2,1-4H3/b9-7-,15-13-,18-16+,21-19-,24-23-,28-26-/t57-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:36][CH2:41][CH2:45][CH2:49][CH2:53][C:60](=[O:63])[O:66][C@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:29][CH2:27][CH2:20]/[CH:18]=[CH:16]/[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[CH2:55][O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:62] |
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