| Properties | Image |
|---|
| MNX_ID | MNXM49757 |
 |
| reference | hmdb:HMDB0007371 |
| formula | C43H78O5 |
| global charge | 0 |
| mol weight | 675.092 |
| InChIKey | KWPQZKWCBQZBDO-ASRSQLTHSA-N |
| InChI | InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,24,26,30,32,41,44H,3-17,19,21-23,25,27-29,31,33-40H2,1-2H3/b20-18-,26-24-,32-30-/t41-/m0/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,24,26,30,32,41,44H,3-17,19,21-23,25,27-29,31,33-40H2,1-2H3/b20-18-,26-24-,32-30-/t41-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][CH2:40][C@H:41]([CH2:39][OH:44])[O:48][C:43]([CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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