| Properties | Image |
|---|
| MNX_ID | MNXM174460 |
 |
| reference | slm:000126142 |
| formula | C45H84O6 |
| global charge | 0 |
| mol weight | 721.161 |
| InChIKey | XLQRUCLRQKTART-HFWRWAEWSA-N |
| InChI | InChI=1S/C45H84O6/c1-6-7-8-9-10-11-12-13-14-15-20-25-30-35-43(46)49-38-42(51-45(48)37-32-27-22-17-19-24-29-34-41(4)5)39-50-44(47)36-31-26-21-16-18-23-28-33-40(2)3/h11-12,40-42H,6-10,13-39H2,1-5H3/b12-11-/t42-/m0/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C45H84O6/c1-6-7-8-9-10-11-12-13-14-15-20-25-30-35-43(46)49-38-42(51-45(48)37-32-27-22-17-19-24-29-34-41(4)5)39-50-44(47)36-31-26-21-16-18-23-28-33-40(2)3/h11-12,40-42H,6-10,13-39H2,1-5H3/b12-11-/t42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:20][CH2:25][CH2:30][CH2:35][C:43](=[O:46])[O:49][CH2:38][C@@H:42]([CH2:39][O:50][C:44]([CH2:36][CH2:31][CH2:26][CH2:21][CH2:16][CH2:18][CH2:23][CH2:28][CH2:33][CH:40]([CH3:2])[CH3:3])=[O:47])[O:51][C:45]([CH2:37][CH2:32][CH2:27][CH2:22][CH2:17][CH2:19][CH2:24][CH2:29][CH2:34][CH:41]([CH3:4])[CH3:5])=[O:48] |
|