| Properties | Image |
MNX_ID | MNXM178487 |
 |
reference | slm:000262834 |
formula | C67H110O6 |
global charge | 0 |
mol weight | 1011.611 |
InChIKey | JFWLCYKQLFXLKM-RVWBJWGQSA-N |
InChI | InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-28,31-34,37-40,64H,4-11,13-14,18,22-23,29-30,35-36,41-63H2,1-3H3/b15-12-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C67H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-28,31-34,37-40,64H,4-11,13-14,18,22-23,29-30,35-36,41-63H2,1-3H3/b15-12-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38- |
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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:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][CH2:62][CH:64]([CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:43]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:41]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:70] |
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