| Properties | Image |
MNX_ID | MNXM354362 |
 |
reference | slm:000211185 |
formula | C61H106O6 |
global charge | 0 |
mol weight | 935.513 |
InChIKey | XGZIBNSHQAKSQA-DOMWTKPQSA-N |
InChI | InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40-41,43-44,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,44-41-/t58-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C61H106O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,33,35,40-41,43-44,58H,4-6,8-9,11-15,17-18,20-24,26-27,29-32,34,36-39,42,45-57H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,43-40-,44-41-/t58-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@@H:58]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64] |
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