| Properties | Image |
|---|
| MNX_ID | MNXM191302 |
 |
| reference | slm:000262938 |
| formula | C67H110O6 |
| global charge | 0 |
| mol weight | 1011.611 |
| InChIKey | FUDIUEIBBIIXJB-DKTVUKCQSA-N |
| InChI | InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-34,36-37,39,43,46,64H,4-6,8-9,11-15,18,22-23,27,30-31,35,38,40-42,44-45,47-63H2,1-3H3/b10-7-,19-16-,20-17-,24-21+,28-25-,29-26-,33-32-,37-34-,39-36-,46-43-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-29,32-34,36-37,39,43,46,64H,4-6,8-9,11-15,18,22-23,27,30-31,35,38,40-42,44-45,47-63H2,1-3H3/b10-7-,19-16-,20-17-,24-21+,28-25-,29-26-,33-32-,37-34-,39-36-,46-43-/t64-/m1/s1 |
 |
| 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:32]=[CH:33]\[CH2:35]/[CH:36]=[CH:39]\[CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][CH2:63][C@@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:68])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70] |
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