| Properties | Image |
|---|
| MNX_ID | MNXM345216 |
 |
| reference | slm:000475816 |
| formula | C52H91O13P2 |
| global charge | -3 |
| mol weight | 986.235 |
| InChIKey | IJMMLKKHUQIJLX-JPCDZIKOSA-K |
| InChI | InChI=1S/C52H94O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-52(55)65-50(47-61-51(54)43-41-39-37-10-8-6-4-2)48-64-67(59,60)63-46-49(53)45-62-66(56,57)58/h5,7,11-12,14-15,17-18,20-21,49-50,53H,3-4,6,8-10,13,16,19,22-48H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,12-11-,15-14-,18-17-,21-20-/t49-,50+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C52H94O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-52(55)65-50(47-61-51(54)43-41-39-37-10-8-6-4-2)48-64-67(59,60)63-46-49(53)45-62-66(56,57)58/h5,7,11-12,14-15,17-18,20-21,49-50,53H,3-4,6,8-10,13,16,19,22-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,12-11-,15-14-,18-17-,21-20-/t49-,50+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:52](=[O:55])[O:65][C@H:50]([CH2:47][O:61][C:51]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:48][O:64][P:67]([OH:59])(=[O:60])[O:63][CH2:46][C@H:49]([CH2:45][O:62][P:66]([OH:56])([OH:57])=[O:58])[OH:53] |
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