| Properties | Image |
|---|
| MNX_ID | MNXM229557 |
 |
| reference | slm:000270386 |
| formula | C68H112O6 |
| global charge | 0 |
| mol weight | 1025.638 |
| InChIKey | XSRGXJJFXUGMAV-YQZDABFKSA-N |
| InChI | InChI=1S/C68H112O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-55-59-66(69)72-62-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)74-68(71)61-57-53-49-45-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-28,31-34,39,43,64-65H,5-6,8,10-12,17-18,23-24,29-30,35-38,40-42,44-63H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,43-39-/t65-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H112O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-55-59-66(69)72-62-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)74-68(71)61-57-53-49-45-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-28,31-34,39,43,64-65H,5-6,8,10-12,17-18,23-24,29-30,35-38,40-42,44-63H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,43-39-/t65-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:39]=[CH:43]\[CH2:47][CH2:51][CH2:55][CH2:59][C:66](=[O:69])[O:72][CH2:62][C@@H:65]([CH2:63][O:73][C:67]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH:64]([CH3:3])[CH3:4])=[O:70])[O:74][C:68]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:40][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:71] |
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