| Properties | Image |
|---|
| MNX_ID | MNXM168923 |
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| reference | biggM:CE5730 |
| formula | C23H36O6 |
| global charge | 0 |
| mol weight | 408.535 |
| InChIKey | FHFHTYWWDZUGTL-IBGZPJMESA-N |
| InChI | InChI=1S/C23H36O6/c1-2-3-6-9-19(26)14-12-18-13-15-22(27)21(18)10-7-4-5-8-11-23(28)29-20(16-24)17-25/h4,7,12,14,19-20,24-26H,2-3,5-6,8-11,13,15-17H2,1H3/t19-/m0/s1 |
| SMILES | CCCCC[C@H](O)C=CC1=C(CC=CCCCC(=O)OC(CO)CO)C(=O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C23H36O6/c1-2-3-6-9-19(26)14-12-18-13-15-22(27)21(18)10-7-4-5-8-11-23(28)29-20(16-24)17-25/h4,7,12,14,19-20,24-26H,2-3,5-6,8-11,13,15-17H2,1H3/b7-4?,14-12?/t19-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:19]([CH:14]=[CH:12][C:18]1=[C:21]([CH2:10][CH:7]=[CH:4][CH2:5][CH2:8][CH2:11][C:23](=[O:28])[O:29][CH:20]([CH2:16][OH:24])[CH2:17][OH:25])[C:22](=[O:27])[CH2:15][CH2:13]1)[OH:26] |
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