| Properties | Image |
MNX_ID | MNXM276511 |
 |
reference | slm:000222412 |
formula | C62H110O6 |
global charge | 0 |
mol weight | 951.556 |
InChIKey | UWMRKXSSZXTEOM-DKQUMAOWSA-N |
InChI | InChI=1S/C62H110O6/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/h13,15,19,21,25-26,29,31,35,37,58-59H,5-12,14,16-18,20,22-24,27-28,30,32-34,36,38-57H2,1-4H3/b15-13-,21-19-,26-25-,31-29-,37-35-/t59-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C62H110O6/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/h13,15,19,21,25-26,29,31,35,37,58-59H,5-12,14,16-18,20,22-24,27-28,30,32-34,36,38-57H2,1-4H3/b15-13-,21-19-,26-25-,31-29-,37-35-/t59-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH: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][CH2:30][CH2:27][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:65] |
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