| Properties | Image |
|---|
| MNX_ID | MNXM322765 |
 |
| reference | slm:000264054 |
| formula | C67H112O6 |
| global charge | 0 |
| mol weight | 1013.627 |
| InChIKey | YYQKXAZWHDNQAT-KPAMJNLDSA-N |
| InChI | InChI=1S/C67H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-36-38-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-35-30-28-26-23-20-17-14-11-8-5-2/h8,11-12,15,17,20-21,24-28,35,37,42,45,51,54,64H,4-7,9-10,13-14,16,18-19,22-23,29-34,36,38-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,15-12-,20-17-,24-21-,27-25-,28-26-,37-35-,45-42-,54-51-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-36-38-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-35-30-28-26-23-20-17-14-11-8-5-2/h8,11-12,15,17,20-21,24-28,35,37,42,45,51,54,64H,4-7,9-10,13-14,16,18-19,22-23,29-34,36,38-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,15-12-,20-17-,24-21-,27-25-,28-26-,37-35-,45-42-,54-51-/t64-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][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][CH2:47][CH2:44][CH2:41]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:68])[CH2:63][O:72][C:66]([CH2:60][CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:37]=[CH:35]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:69] |
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