| Properties | Image |
|---|
| MNX_ID | MNXM9140 |
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| reference | biggM:tetpent6crn |
| formula | C31H51NO4 |
| global charge | 0 |
| mol weight | 501.752 |
| InChIKey | STKKPHPBAFXMLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,21-22,29H,5-8,11,14,17,20,23-28H2,1-4H3 |
| SMILES | CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,21-22,29H,5-8,11,14,17,20,23-28H2,1-4H3/b10-9?,13-12?,16-15?,19-18?,22-21?/t29? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH:18]=[CH:19][CH2:20][CH:21]=[CH:22][CH2:23][CH2:24][CH2:25][CH2:26][C:31](=[O:35])[O:36][CH:29]([CH2:27][C:30](=[O:33])[O-:34])[CH2:28][N+:32]([CH3:2])([CH3:3])[CH3:4] |
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