| Properties | Image |
|---|
| MNX_ID | MNXM49460 |
 |
| reference | slm:000122784 |
| formula | C42H78O5 |
| global charge | 0 |
| mol weight | 663.081 |
| InChIKey | GPMCSZNGMGAQTJ-JYSOZKFISA-N |
| InChI | InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,40,43H,3-10,12,14-16,18,20-39H2,1-2H3/b13-11-,19-17-/t40-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,40,43H,3-10,12,14-16,18,20-39H2,1-2H3/b13-11-,19-17-/t40-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][C@@H:40]([CH2:38][OH:43])[CH2:39][O:46][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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