| Properties | Image |
|---|
| MNX_ID | MNXM220094 |
 |
| reference | slm:000275487 |
| formula | C69H112O6 |
| global charge | 0 |
| mol weight | 1037.649 |
| InChIKey | DJRYTTZTPNYHCO-RSGJPETBSA-N |
| InChI | InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,39-40,42-43,49,52,66H,4-8,10-11,13-15,22-24,31-32,35-38,41,44-48,50-51,53-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,42-39-,43-40-,52-49-/t66-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33-34,39-40,42-43,49,52,66H,4-8,10-11,13-15,22-24,31-32,35-38,41,44-48,50-51,53-65H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,42-39-,43-40-,52-49-/t66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:70])[CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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