| Properties | Image |
|---|
| MNX_ID | MNXM318494 |
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| reference | slm:000126060 |
| formula | C47H76O5 |
| global charge | 0 |
| mol weight | 721.12 |
| InChIKey | GFGKLHRAQPDNGX-AEMYSRKVSA-N |
| InChI | InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,26-29,33,35,45,48H,3-10,15-16,21,24-25,30-32,34,36-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,29-27-,35-33-/t45-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,26-29,33,35,45,48H,3-10,15-16,21,24-25,30-32,34,36-44H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,29-27-,35-33-/t45-/m0/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:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:50])[O:52][CH2:44][C@H:45]([CH2:43][O:51][C:46]([CH2:41][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49])[OH:48] |
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