| Properties | Image |
|---|
| MNX_ID | MNXM342838 |
 |
| reference | slm:000475676 |
| formula | C28H45O13P2 |
| global charge | -3 |
| mol weight | 651.603 |
| InChIKey | WFYYQMIFXLJADC-WTRSPCOISA-K |
| InChI | InChI=1S/C28H48O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)41-27(23-37-25(2)29)24-40-43(35,36)39-22-26(30)21-38-42(32,33)34/h4-5,7-8,10-11,13-14,26-27,30H,3,6,9,12,15-24H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/b5-4-,8-7-,11-10-,14-13-/t26-,27+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H48O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)41-27(23-37-25(2)29)24-40-43(35,36)39-22-26(30)21-38-42(32,33)34/h4-5,7-8,10-11,13-14,26-27,30H,3,6,9,12,15-24H2,1-2H3,(H,35,36)(H2,32,33,34)/b5-4-,8-7-,11-10-,14-13-/t26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:28](=[O:31])[O:41][C@H:27]([CH2:23][O:37][C:25]([CH3:2])=[O:29])[CH2:24][O:40][P:43]([OH:35])(=[O:36])[O:39][CH2:22][C@H:26]([CH2:21][O:38][P:42]([OH:32])([OH:33])=[O:34])[OH:30] |
|