| Properties | Image |
|---|
| MNX_ID | MNXM342644 |
 |
| reference | slm:000443669 |
| formula | C33H47O22P4 |
| global charge | -7 |
| mol weight | 919.613 |
| InChIKey | WMJLKTDBYJMJCP-KPQHHMPISA-G |
| InChI | InChI=1S/C33H54O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)51-26(23-49-25(2)34)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h4-5,7-8,10-11,13-14,16-17,19-20,26,28-33,36-37H,3,6,9,12,15,18,21-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/p-7/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t26-,28+,29+,30-,31+,32-,33-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H54O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)51-26(23-49-25(2)34)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h4-5,7-8,10-11,13-14,16-17,19-20,26,28-33,36-37H,3,6,9,12,15,18,21-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t26-,28+,29+,30-,31+,32-,33-/m1/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]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][C:27](=[O:35])[O:51][C@H:26]([CH2:23][O:49][C:25]([CH3:2])=[O:34])[CH2:24][O:50][P:59]([OH:47])(=[O:48])[O:55][C@@H:30]1[C@H:28]([OH:36])[C@H:31]([O:52][P:56]([OH:38])([OH:39])=[O:40])[C@@H:33]([O:54][P:58]([OH:44])([OH:45])=[O:46])[C@H:32]([O:53][P:57]([OH:41])([OH:42])=[O:43])[C@H:29]1[OH:37] |
|