| Properties | Image |
|---|
| MNX_ID | MNXM191648 |
 |
| reference | slm:000247271 |
| formula | C65H108O6 |
| global charge | 0 |
| mol weight | 985.573 |
| InChIKey | CTQMAYYRUJMJNI-XZOLAGTRSA-N |
| InChI | InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31-32,35,37-38,40,62H,4-7,9-10,12-15,18,22-23,27,30,33-34,36,39,41-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,29-26-,32-31-,38-35-,40-37-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,31-32,35,37-38,40,62H,4-7,9-10,12-15,18,22-23,27,30,33-34,36,39,41-61H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,29-26-,32-31-,38-35-,40-37-/t62-/m1/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:31]=[CH:32]\[CH2:33]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][C@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:67] |
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