| Properties | Image |
|---|
| MNX_ID | MNXM185623 |
 |
| reference | slm:000122701 |
| formula | C42H76O5 |
| global charge | 0 |
| mol weight | 661.065 |
| InChIKey | NMBUMTLYNOSLDX-LFUVTTOQSA-N |
| InChI | InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,40,43H,3-10,12,14-16,18,20,23-39H2,1-2H3/b13-11-,19-17-,22-21-/t40-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,40,43H,3-10,12,14-16,18,20,23-39H2,1-2H3/b13-11-,19-17-,22-21-/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]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][CH2:39][C@H:40]([CH2:38][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])[OH:43] |
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