| Properties | Image |
|---|
| MNX_ID | MNXM342129 |
 |
| reference | slm:000456434 |
| formula | C39H63O16P2 |
| global charge | -3 |
| mol weight | 849.865 |
| InChIKey | RTUISGOZLYTGRH-PVFOJBFKSA-K |
| InChI | InChI=1S/C39H66O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)53-32(29-51-31(2)40)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7-8,10-11,13-14,16-17,19-20,32,34-39,42-45H,3-6,9,12,15,18,21-30H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b8-7-,11-10-,14-13-,17-16-,20-19-/t32-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H66O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)53-32(29-51-31(2)40)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h7-8,10-11,13-14,16-17,19-20,32,34-39,42-45H,3-6,9,12,15,18,21-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b8-7-,11-10-,14-13-,17-16-,20-19-/t32-,34+,35+,36-,37-,38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][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][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:33](=[O:41])[O:53][C@H:32]([CH2:29][O:51][C:31]([CH3:2])=[O:40])[CH2:30][O:52][P:57]([OH:49])(=[O:50])[O:55][C@H:39]1[C@H:36]([OH:44])[C@@H:34]([OH:42])[C@H:35]([OH:43])[C@@H:38]([O:54][P:56]([OH:46])([OH:47])=[O:48])[C@H:37]1[OH:45] |
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