| Properties | Image |
|---|
| MNX_ID | MNXM186989 |
 |
| reference | slm:000458442 |
| formula | C42H69O16P2 |
| global charge | -3 |
| mol weight | 891.946 |
| InChIKey | YUJDMXXEIDWEMW-FCFKJNIVSA-K |
| InChI | InChI=1S/C42H72O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)56-34(31-54-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-55-60(52,53)58-42-39(47)37(45)41(38(46)40(42)48)57-59(49,50)51/h5-6,8-9,11-12,14-15,17,20,33-34,37-42,45-48H,4,7,10,13,16,18-19,21-32H2,1-3H3,(H,52,53)(H2,49,50,51)/p-3/b6-5-,9-8-,12-11-,15-14-,20-17-/t34-,37-,38+,39-,40-,41+,42+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C42H72O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)56-34(31-54-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-55-60(52,53)58-42-39(47)37(45)41(38(46)40(42)48)57-59(49,50)51/h5-6,8-9,11-12,14-15,17,20,33-34,37-42,45-48H,4,7,10,13,16,18-19,21-32H2,1-3H3,(H,52,53)(H2,49,50,51)/b6-5-,9-8-,12-11-,15-14-,20-17-/t34-,37-,38+,39-,40-,41+,42+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:20]\[CH2:24][CH2:27][CH2:30][C:36](=[O:44])[O:56][C@H:34]([CH2:31][O:54][C:35]([CH2:29][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:43])[CH2:32][O:55][P:60]([OH:52])(=[O:53])[O:58][C@H:42]1[C@H:39]([OH:47])[C@@H:37]([OH:45])[C@H:41]([O:57][P:59]([OH:49])([OH:50])=[O:51])[C@@H:38]([OH:46])[C@H:40]1[OH:48] |
|