| Properties | Image |
|---|
| MNX_ID | MNXM220098 |
 |
| reference | slm:000262368 |
| formula | C67H110O6 |
| global charge | 0 |
| mol weight | 1011.611 |
| InChIKey | QBZBOSUMWSGINK-IBHNBTTFSA-N |
| InChI | InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-33,37-38,40,44,47,64H,4-8,10-11,13-15,22-24,30-31,34-36,39,41-43,45-46,48-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,38-27-,40-37-,47-44-/t64-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-29,32-33,37-38,40,44,47,64H,4-8,10-11,13-15,22-24,30-31,34-36,39,41-43,45-46,48-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,38-27-,40-37-,47-44-/t64-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:67](=[O:70])[O:73][C@@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:68])[CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69] |
|