| Properties | Image |
|---|
| MNX_ID | MNXM192211 |
 |
| reference | slm:000127944 |
| formula | C47H86O6 |
| global charge | 0 |
| mol weight | 747.199 |
| InChIKey | QXFIXLPKHOSOGR-FYVLHISISA-N |
| InChI | InChI=1S/C47H86O6/c1-4-7-10-13-16-19-21-22-23-24-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)42-51-45(48)39-36-33-30-28-25-20-17-14-11-8-5-2/h14,17,19,21,44H,4-13,15-16,18,20,22-43H2,1-3H3/b17-14-,21-19+/t44-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86O6/c1-4-7-10-13-16-19-21-22-23-24-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)42-51-45(48)39-36-33-30-28-25-20-17-14-11-8-5-2/h14,17,19,21,44H,4-13,15-16,18,20,22-43H2,1-3H3/b17-14-,21-19+/t44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:21]/[CH2:22][CH2:23][CH2:24][CH2:26][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:49])[O:52][CH2:43][C@H:44]([CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:28][CH2:25][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:48])[O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:27][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:50] |
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