| Properties | Image |
|---|
| MNX_ID | MNXM219425 |
 |
| reference | slm:000128115 |
| formula | C49H80O5 |
| global charge | 0 |
| mol weight | 749.174 |
| InChIKey | YCKUPJSHUHQTLE-QPIAJOIISA-N |
| InChI | InChI=1S/C49H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,28,30,34,36,47,50H,3-4,6,8-10,15-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,28,30,34,36,47,50H,3-4,6,8-10,15-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:52])[O:54][C@@H:47]([CH2:45][OH:50])[CH2:46][O:53][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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