| Properties | Image |
MNX_ID | MNXM219471 |
 |
reference | slm:000239664 |
formula | C64H110O6 |
global charge | 0 |
mol weight | 975.578 |
InChIKey | WNGUUKPUMWIMJP-JEAYXGBXSA-N |
InChI | InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,36,38,43,46,61H,4-15,18,21-24,29-30,33-35,37,39-42,44-45,47-60H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-31-,38-36-,46-43-/t61-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C64H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61(59-68-62(65)56-53-50-47-44-41-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,36,38,43,46,61H,4-15,18,21-24,29-30,33-35,37,39-42,44-45,47-60H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,32-31-,38-36-,46-43-/t61-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:32]\[CH2:34]/[CH:36]=[CH:38]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49][CH2:52][CH2:55][CH2:58][C:64](=[O:67])[O:70][C@@H:61]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65])[CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66] |
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