| Properties | Image |
|---|
| MNX_ID | MNXM185601 |
 |
| reference | slm:000128133 |
| formula | C49H80O5 |
| global charge | 0 |
| mol weight | 749.174 |
| InChIKey | HZPCSXJHJBVWND-KFVVISTNSA-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)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30,34,36,47,50H,3-10,15-16,21-22,26,29,31-33,35,37-46H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,36-34-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCC/C=C\C/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)54-46-47(50)45-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30,34,36,47,50H,3-10,15-16,21-22,26,29,31-33,35,37-46H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,36-34-/t47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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][CH2:46][C@@H:47]([CH2:45][O:53][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH: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])[OH:50] |
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