| Properties | Image |
|---|
| MNX_ID | MNXM342642 |
 |
| reference | slm:000475662 |
| formula | C30H45O13P2 |
| global charge | -3 |
| mol weight | 675.625 |
| InChIKey | WQLYPRQSEZZDML-LINRVEBQSA-K |
| InChI | InChI=1S/C30H48O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)43-29(25-39-27(2)31)26-42-45(37,38)41-24-28(32)23-40-44(34,35)36/h4-5,7-8,10-11,13-14,16-17,19-20,28-29,32H,3,6,9,12,15,18,21-26H2,1-2H3,(H,37,38)(H2,34,35,36)/p-3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,29+/m0/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-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C30H48O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)43-29(25-39-27(2)31)26-42-45(37,38)41-24-28(32)23-40-44(34,35)36/h4-5,7-8,10-11,13-14,16-17,19-20,28-29,32H,3,6,9,12,15,18,21-26H2,1-2H3,(H,37,38)(H2,34,35,36)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,29+/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]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][C:30](=[O:33])[O:43][C@H:29]([CH2:25][O:39][C:27]([CH3:2])=[O:31])[CH2:26][O:42][P:45]([OH:37])(=[O:38])[O:41][CH2:24][C@H:28]([CH2:23][O:40][P:44]([OH:34])([OH:35])=[O:36])[OH:32] |
|