| Properties | Image |
|---|
| MNX_ID | MNXM337046 |
 |
| reference | slm:000222906 |
| formula | C63H100O6 |
| global charge | 0 |
| mol weight | 953.487 |
| InChIKey | YIRRUKRUZWKJLR-SLMQBLRYSA-N |
| InChI | InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-32,34-36,39,41-42,44,60H,4-7,9-10,12-14,21-23,28-29,33,37-38,40,43,45-59H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-30-,35-32-,36-34-,42-39-,44-41-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-32,34-36,39,41-42,44,60H,4-7,9-10,12-14,21-23,28-29,33,37-38,40,43,45-59H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-30-,35-32-,36-34-,42-39-,44-41-/t60-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33]/[CH:34]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:37]/[CH:35]=[CH:32]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66] |
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